3-Aminobenzonitrile

Names

[ Name ]:
3-Aminobenzonitrile

[Synonym ]:
3-Aminobenzonitrile
1-amino-3-cyanobenzene
3-Cyanoaniline
3-Amino-benzonitrile
Benzonitrile, 3-amino-
M-AMINOBENZONITRILE
m-Cyanoaniline
MFCD00007756
3-aminobenzonitril
EINECS 218-800-5
3-Aminobenzolcarbonitril
3-cyanophenylamine
Benzonitrile,3-amino
m-cyanophenyl amine
Benzonitrile,m-amino
m-Anthranilonitrile
meta-cyanoaniline

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
290.0±13.0 °C at 760 mmHg

[ Melting Point ]:
48-53 °C(lit.)

[ Molecular Formula ]:
C₇H₆N₂

[ Molecular Weight ]:
118.136

[ Flash Point ]:
129.2±19.8 °C

[ Exact Mass ]:
118.053101

[ PSA ]:
49.81000

[ LogP ]:
1.07

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.590

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI2454000

CHEMICAL NAME :: Benzonitrile, m-amino-

CAS REGISTRY NUMBER :: 2237-30-1

BEILSTEIN REFERENCE NO. :: 0636498

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H6-N2

MOLECULAR WEIGHT :: 118.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 562 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 100 mg/L

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 5,803,1983

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H317

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
DI2454000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Synthesis, anti-inflammatory and analgesic activities evaluation of some mono, bi and tricyclic pyrimidine derivatives.

Bioorg. Med. Chem. 13(22) , 6158-66, (2005)

3-Aminobenzonitrile and 2-amino-4-phenyl thiazole on condensation with 4-isothiocyanato-4-methyl pentane-2-one gave condensed monocyclic pyrimidine derivatives 1 and 2, 3, respectively. Condensation o...

Synthesis and biological evaluation of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles as transforming growth factor-β type 1 receptor kinase inhibitors.

Eur. J. Med. Chem. 46(9) , 3917-25, (2011)

A series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles 14a-d, 15a-d, 17a, 17b, 18a-d, 19a, and 19b has been synthesized and evaluated for their ALK5 inhibitory activity in ...

Preparation of highly substituted gamma-lactam follicle stimulating hormone receptor agonists.

Bioorg. Med. Chem. 13(21) , 5986-95, (2005)

An unusual combination of Weinreb amidation and Mitsunobu lactam formation was used to prepare highly substituted gamma-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agoni...