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75-12-7 molecular structure
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formamide

ChemBase ID: 103273
Molecular Formular: CH3NO
Molecular Mass: 45.04062
Monoisotopic Mass: 45.02146372
SMILES and InChIs

SMILES:
NC=O
Canonical SMILES:
NC=O
InChI:
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
InChIKey:
ZHNUHDYFZUAESO-UHFFFAOYSA-N

Cite this record

CBID:103273 http://www.chembase.cn/molecule-103273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
formamide
IUPAC Traditional name
formamide
Synonyms
Formamide, Spectrophotometric Grade
Formamide, ACS
HYDRANAL®-Formamide dry
Formamide solution
Carbamaldehyde
Methanamide
Formic amide
FORMAMIDE
Formamide
Formamide
Amide C1
甲酰胺, 光谱级
甲酰胺, ACS
甲酰胺
HYDRANAL®-无水甲酰胺
甲酰胺 溶液
C1 酰胺
氨基甲醛
甲酰胺
CAS Number
75-12-7
EC Number
200-842-0
MDL Number
MFCD00007941
Beilstein Number
505995
Merck Index
144237
PubChem SID
24871292
24882117
24894943
24894985
24882076
24882105
24879220
24857817
162090353
24871294
24853220
24861472
24894893
PubChem CID
713
CHEBI ID
48431
CHEMBL
266160
Chemspider ID
693
KEGG ID
C00488
Wikipedia Title
Formamide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.66931  H Acceptors
H Donor LogD (pH = 5.5) -1.0789874 
LogD (pH = 7.4) -1.078987  Log P -1.078987 
Molar Refractivity 9.9754 cm3 Polarizability 3.849606 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble10 M at 20 °C, clear, colorless expand Show data source
Miscible in water expand Show data source
Apperance
APHA: ≤10 expand Show data source
clear, colorless liquid expand Show data source
Liquid expand Show data source
Melting Point
2 - 3°C expand Show data source
2 °C expand Show data source
2°C expand Show data source
2-3 °C(lit.) expand Show data source
Boiling Point
210 °C expand Show data source
210 °C(lit.) expand Show data source
210°C expand Show data source
210°C expand Show data source
Flash Point
150 °C expand Show data source
150°C(302°F) expand Show data source
154 °C (closed cup) expand Show data source
154°C(310°F) expand Show data source
175 °C (open cup and DIN 51584) expand Show data source
185 °F expand Show data source
188.6 °F expand Show data source
302 °F expand Show data source
85 °C expand Show data source
87 °C expand Show data source
Auto Ignition Point
> 500 Grad C (DIN 51794) expand Show data source
932 °F expand Show data source
Density
1.132 g/mL at 20 °C expand Show data source
1.133 g/cm3 expand Show data source
1.133 g/cm3 at 20 °C expand Show data source
1.134 expand Show data source
1.134 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4475 expand Show data source
n20/D 1.447 expand Show data source
n20/D 1.447(lit.) expand Show data source
Vapor Pressure
.08 hPa at 20 °C expand Show data source
0.08 mmHg ( 20 °C) expand Show data source
0.08 mmHg at 20 °C expand Show data source
30 mmHg ( 129 °C) expand Show data source
Vapor Density
1.55 (vs air) expand Show data source
1.56 (air = 1) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: ≤0.4 expand Show data source
λ: 275 nm Amax: 1.00 expand Show data source
λ: 280 nm Amax: ≤0.1 expand Show data source
λ: 280 nm Amax: 0.20 expand Show data source
λ: 300 nm Amax: 0.05 expand Show data source
λ: 360 nm Amax: 0.02 expand Show data source
λ: 400 nm Amax: 0.01 expand Show data source
pKa
23.5 (in DMSO) expand Show data source
Transition Temperature
freezing point 2.0-3.0 °C expand Show data source
solidification point 2-3 °C expand Show data source
transition temp 2.0-3.0 °C expand Show data source
pH
7-9 (25 °C, 1 M in H2O) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
LQ0525000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
1 expand Show data source
2 expand Show data source
Risk Statements
61 expand Show data source