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7664-41-7 molecular structure
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ammonia

ChemBase ID: 125808
Molecular Formular: H3N
Molecular Mass: 17.03052
Monoisotopic Mass: 17.0265491
SMILES and InChIs

SMILES:
N
Canonical SMILES:
N
InChI:
InChI=1S/H3N/h1H3
InChIKey:
QGZKDVFQNNGYKY-UHFFFAOYSA-N

Cite this record

CBID:125808 http://www.chembase.cn/molecule-125808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonia
IUPAC Traditional name
ammonia
Synonyms
Hydrogen nitride
Trihydrogen nitride
Nitro-Sil
Ammonia
Ammonia
Ammonia solution
氨 溶液
CAS Number
7664-41-7
EC Number
231-635-3
MDL Number
MFCD00011418
Beilstein Number
3587154
PubChem SID
24864477
24857750
24865474
24860942
24873257
162220155
24864476
PubChem CID
222
CHEBI ID
16134
CHEMBL
1160819
Chemspider ID
217
Gmelin ID
79
KEGG ID
D02916
MeSH Name
Ammonia
Unique Ingredient Identifier
5138Q19F1X
Wikipedia Title
Ammonia

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.7525723  LogD (pH = 7.4) -2.4393091 
Log P -0.978  Molar Refractivity 15.5149 cm3
Polarizability 2.2600515 Å3 Polar Surface Area 13.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
47% (0 °C)
31% (25 °C)
28% (50 °C) in water
expand Show data source
Apperance
Colourless gas with strong pungent odour expand Show data source
Melting Point
-77.73°C expand Show data source
-78 °C(lit.) expand Show data source
Boiling Point
-33 °C(lit.) expand Show data source
-33.34°C expand Show data source
50 °C expand Show data source
60 °C expand Show data source
Flash Point
11 °C expand Show data source
132 °C expand Show data source
14 °C expand Show data source
-22 °F expand Show data source
269.6 °F expand Show data source
3 °C expand Show data source
-30 °C expand Show data source
37.4 °F expand Show data source
39.2 °F expand Show data source
4 °C expand Show data source
42.8 °F expand Show data source
51.8 °F expand Show data source
57.2 °F expand Show data source
6 °C expand Show data source
flammable gas (see text) expand Show data source
Auto Ignition Point
1203 °F expand Show data source
651 °C expand Show data source
Density
0.773 g/mL at 25 °C expand Show data source
0.779 g/mL at 25 °C expand Show data source
0.785 g/mL at 25 °C expand Show data source
0.787 g/mL at 25 °C expand Show data source
0.86 kg/m3 (1.013 bar at boiling point)
0.73 kg/m3 (1.013 bar at 15 °C)
681.9 kg/m3 at -33.3 °C (liquid)
817 kg/m3 at -80 °C (transparent solid)
expand Show data source
0.881 g/mL at 25 °C expand Show data source
1.023 g/mL at 25 °C expand Show data source
Vapor Pressure
11.73 psi ( 55 °C) expand Show data source
20.22 psi ( 55 °C) expand Show data source
4.16 psi ( 20 °C) expand Show data source
6.34 psi ( 20 °C) expand Show data source
8.75 atm ( 21 °C) expand Show data source
Vapor Density
0.6 (vs air) expand Show data source
pKa
32.5 (-33 °C), 10.5 (DMSO) expand Show data source
pKb
4.75 expand Show data source
Std enthalpy of formation
-46 kJ·mol-1 expand Show data source
Std molar entropy
193 J·mol-1·K-1 expand Show data source
RTECS
BO0875000 expand Show data source
European Hazard Symbols
Corrosive (C) expand Show data source
Dangerous for the environment (N) expand Show data source
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1005 expand Show data source
1165 expand Show data source
1170 expand Show data source
1219 expand Show data source
1992 expand Show data source
2056 expand Show data source
3286 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
Hazard Class
2.3 expand Show data source
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
10-23-34-50 expand Show data source
11-19-20-36/37/38 expand Show data source
11-19-36/37-40-66 expand Show data source
11-20 expand Show data source
11-20-36 expand Show data source
11-23/24/25-34-39/23/24/25 expand Show data source
11-23/24/25-36/38-39/23/24/25 expand Show data source
R10, R23, R34, R50 expand Show data source
Safety Statements
16 expand Show data source
16-26 expand Show data source
16-26-29-33 expand Show data source
16-26-36/37 expand Show data source
16-26-36/37/39-45 expand Show data source
16-26-36/37-45 expand Show data source
9-16-26-36/37/39-45-61 expand Show data source
S1/2, S9, S16, S26, S36/37/39, S45, S61 expand Show data source
EU Index
007-001-00-5 (anhydrous)
007-001-01-2 (solutions)
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS04 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
1
3
0
expand Show data source
Permissible exposure limit
50 ppm (25 ppm ACGIH- TLV; 35 ppm STEL) expand Show data source
Explode Limits
15–28% expand Show data source
25 % expand Show data source
GHS Hazard statements
221, 280, 314, 331, 400 expand Show data source
H221-H280-H314-H331-H400 expand Show data source
H225-H301-H311-H314-H331-H370 expand Show data source
H225-H315-H318 expand Show data source
H225-H315-H318-H336 expand Show data source
H225-H319-H335-H351 expand Show data source
GHS Precautionary statements
210, 261, 273, 280, 305+351+338, 310 expand Show data source
P210-P260-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
P210-P261-P273-P280-P305 + P351 + P338-P310 expand Show data source
P210-P261-P280-P305 + P351 + P338 expand Show data source
P210-P261-P281-P305 + P351 + P338 expand Show data source
P210-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US) expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Faceshields, Gloves, Goggles, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1005 2.3 expand Show data source
UN 1165 3/PG 2 expand Show data source
UN 1170 3/PG 2 expand Show data source
UN 1219 3/PG 2 expand Show data source
UN 1992 3/PG 2 expand Show data source
UN 2056 3/PG 2 expand Show data source
UN 3286 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Repeated exposure may cause skin dryness or cracking. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.9% expand Show data source
≥99.95% expand Show data source
≥99.99% expand Show data source
Concentration
0.4 M in THF expand Show data source
0.5 M in dioxane expand Show data source
2.0 M in ethanol expand Show data source
2.0 M in isopropanol expand Show data source
2.0 M in methanol expand Show data source
3.6-4.4 M (back titration with NaOH) expand Show data source
4 M in methanol expand Show data source
7 N in methanol expand Show data source
Grade
anhydrous expand Show data source
puriss. expand Show data source
Impurities
≤0.01% water expand Show data source
≤0.1% water (Karl Fischer) expand Show data source
Linear Formula
NH3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 718939 external link
Packaging
100 mL in glass bottle
Application
Use of ammonia as:
• A phermone in anuran tadpoles1
• A nutrient in soil for plant nutrition2Studies of contributions of archaea and bacteria to the ammonia-oxidizing potential of soils3Interaction of ammonia and xenon with imidazole glycerol phosphate synthase from Thermotoga maritima4Metabolism of ammonia in Aedes aegypti fat body and midgut tissues5Used by ammonia-oxidizing bacteria6
Sigma Aldrich - 294993 external link
Application
Reagent for chemical vapor deposition of TiN.1
Packaging
170 g in steel cylinder
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.
Sigma Aldrich - 09684 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~5.5 kg
Sigma Aldrich - 499145 external link
Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™
Sigma Aldrich - 392685 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 392693 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 407666 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 341428 external link
Packaging
100, 800 mL in Sure/Seal™
20 L in steel drum
2 L in glass bottle
5 mL in glass bottle
Sigma Aldrich - 09682 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~1 kg

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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