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142-04-1 molecular structure
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aniline hydrochloride

ChemBase ID: 92388
Molecular Formular: C6H8ClN
Molecular Mass: 129.58742
Monoisotopic Mass: 129.03452694
SMILES and InChIs

SMILES:
Nc1ccccc1.Cl
Canonical SMILES:
Nc1ccccc1.Cl
InChI:
InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKey:
MMCPOSDMTGQNKG-UHFFFAOYSA-N

Cite this record

CBID:92388 http://www.chembase.cn/molecule-92388.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
aniline hydrochloride
IUPAC Traditional name
aniline hydrochloride
Synonyms
Aniline Chloride
Benzenamine HCl
Phenylamine HCl
Aniline hydrochloride
Aniline hydrochloride
Aniline hydrochloride
benzenamine hydrochloride
aniline sale
phenylamine hydrochloride
phenylammonium chloride
UN 1548, C.I. 76001
Anilinium chloride
苯胺 盐酸盐
苯胺盐酸盐
CAS Number
142-04-1
EC Number
205-519-8
MDL Number
MFCD00012958
Beilstein Number
3593823
Merck Index
14659
PubChem SID
24846637
162079086
24848100
24891344
PubChem CID
8870
Chemspider ID
8536
Wikipedia Title
Anilinium_chloride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0882844  LogD (pH = 7.4) 1.143567 
Log P 1.1443199  Molar Refractivity 30.7584 cm3
Polarizability 11.497764 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1070 g/l in water expand Show data source
Apperance
hygroscopic white crystals expand Show data source
Melting Point
196-198 °C(lit.) expand Show data source
196-200°C expand Show data source
197-200 °C expand Show data source
198°C expand Show data source
199 to 202 °C expand Show data source
Boiling Point
245 °C expand Show data source
245°C expand Show data source
245°C expand Show data source
Flash Point
193 °C o.c. /c.c. expand Show data source
193.3°C expand Show data source
193°C(379°F) expand Show data source
194 °C expand Show data source
381.2 °F expand Show data source
Density
1.22 g/ml expand Show data source
1.221 expand Show data source
1.2215 g/cm3 expand Show data source
Vapor Density
4.46 (vs air) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate, Store Under Nitrogen, Protect from light expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
CY0875000 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
UN Number
1548 expand Show data source
UN1548 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2Z expand Show data source
Risk Statements
23/24/25-40-41-43-48/23/24/25-50-68 expand Show data source
23/24/25-40-41-43-48/23/24/25-68-50 expand Show data source
R:22-36 expand Show data source
R23/24/25, R40, R41, R43,R48/23/24/25, R50, R68 expand Show data source
Safety Statements
26-27-36/37/39-45-61-63 expand Show data source
S:26-36/37/39 expand Show data source
S26, S27, S36/37/39, S45, S61, S63 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 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
2 ppm expand Show data source
GHS Hazard statements
H301-H311-H317-H318-H331-H341-H351-H372-H400 expand Show data source
H301-H311-H331-H317-H372-H341-H351-H318-H400 expand Show data source
GHS Precautionary statements
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
P280-P273-P305+P351+P338-P361-P304+P340-P309+P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1548 6.1/PG 3 expand Show data source
Purity
≥99% expand Show data source
≥99.0% (AT) expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum p.a. expand Show data source
Certificate of Analysis
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Antion Traces
sulfate (SO42-): ≤200 mg/kg expand Show data source
Linear Formula
C6H5NH2 · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150111 external link
Hydrochloride
Sigma Aldrich - A8524 external link
Biochem/physiol Actions
The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.
包装
5, 50 g in poly bottle
Sigma Aldrich - 133310 external link
Biochem/physiol Actions
The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.
Packaging
5, 500 g in glass bottle
Sigma Aldrich - 10414 external link
Biochem/physiol Actions
The acute toxicity of aniline involves its activation in vivo to 4-hydroxyaniline and the formation of adducts with hemoglobin. In erythrocytes, this is associated with the release of iron and the accumulation of methemoglobin and the development of hemolytic anemia and inflammation of the spleen. Tumor formation is often observed in the spleen on prolonged administration.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • A convenient method has been described for generating aryl isocyanates from aniline hydrochlorides and oxalyl chloride, via thermolysis of the intermediate oxamic chloride: Tetrahedron Lett., 45, 4769 (2004).
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PATENTS

PATENTS

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INTERNET

INTERNET

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