4-Amino-3-methylbenzonitrile

HCID 7010316CAS 78881-21-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C#N)ccc1N
InChIKey
MBZDCUMFFPWLTJ-UHFFFAOYSA-N
Molecular formula
C8H8N2
Average molar mass
132.16 g/mol
Monoisotopic mass
132.06874826

Names & identifiers

Preferred name
4-Amino-3-methylbenzonitrile
IUPAC
4-amino-3-methylbenzonitrile
English name
4-Amino-3-methylbenzonitrile
Molecular formula
C8H8N2
Molecular weight
132.16

Names & synonyms

4-Amino-3-methylbenzonitrile78881-21-7DTXSID80426623RefChem:289942DTXCID10377457675-402-84-Cyano-o-toluidine2-Amino-5-cyanotolueneMFCD020939694-amino-3-methyl-benzonitrile4-Cyano-2-methylanilineBenzonitrile, 4-amino-3-methyl-
Show more names
2-Methyl-4-Cyanoaniline4-Amino-3-methylbenzonitrile >4-AMINO-3-METHYLBENZONITRILE, 98+%
4-Cyano-2-methyianilineSCHEMBL6271084-amino-5-methyl-benzonitrile3-methyl-4-aminobenzonitrile4-AMINO-M-TOLUNITRILEAS023944-Amino-3-methyl benzonitrileSCHEMBL3237980

Database identifiers

CAS
78881-21-7
PubChem CID
7010316
DTXSID
DTXSID80426623
EC Number
675-402-8
Nikkaji
J1.790.427B

Properties

Computed structural properties

XLogP
1
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
93 · 93-94°C
Boiling point
304.5 · 304.5±30.0 °C(Predicted)
Density
1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (28.6%)

Safety data

wgk
WGK 3
ridadr
3276
hs_code
29269090
risk_code
20/21/22-43-20/21-36/37/38
Signal word
Danger
Symbol(GHS)
GHS06,GHS07

Chemistry & industry

Applications

Uses4-Amino-3-methylbenzonitrile is a useful research chemical used in organic synthesis and other chemical processes.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

32 records
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Linked notes

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