CAS 53312-79-1 3-Amino-4-chlorobenzonitrile (HCID 104464)

Names & identifiers

Preferred name: 3-Amino-4-chlorobenzonitrile
IUPAC: 3-amino-4-chlorobenzonitrile
English name: 3-Amino-4-chlorobenzonitrile
Molecular formula: C7H5ClN2
Molecular weight: 152.58

Names & synonyms

3-Amino-4-chlorobenzonitrile53312-79-1EINECS 258-471-5DTXSID50201464RefChem:497254DTXCID50123955258-471-53-Amino-4-chloro-benzonitrileMFCD000170892-Chloro-5-cyanoanilineEN300-98037Benzonitrile, 3-amino-4-chloro-

Show more names

Lodoxamide Impurity 262-CHLORO-5-CYANO-ANILINE3-Amino-4-chlorobenzonitrile >3-Amino-4-chlorobenzonitrile 96%3-AMINO-4-CHLOROBENZONITRILE ISO 9001：2015 REACH

4-chloro-3-aminobenzonitrile3-amino-4-chloro benzonitrileCHEMBL430682SCHEMBL1026066SCHEMBL30873036BDBM6262343-Amino-4-chlorobenzonitrile, 96%AKOS000111681

Database identifiers

CAS: 53312-79-1
PubChem CID: 104464
DTXSID: DTXSID50201464
ChEMBL: CHEMBL430682
EC Number: 258-471-5
Nikkaji: J62.886G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 87 · 87-91 °C
Boiling point: 292 · 292.0±20.0 °C(Predicted)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 0.85 · 0.85±0.10(Predicted)
color: Light yellow to Yellow to Orange
InChI: 1S/C7H5ClN2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,10H2
InChIKey: KRBRYJLBILJHAS-UHFFFAOYSA-N
SMILES: Nc1cc(ccc1Cl)C#N
CAS DataBase Reference: 53312 · 53312-79-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335-H301+H311+H331
Precautionary statements: 264 · P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P261-P280-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38-43
Safety Statements: 26 · 26-36/37
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2926907090 · 2926907090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (93.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (93.2%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: 3439
hs_code: 2926907090
risk_code: 22-36/37/38-43
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36/37
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H317-H319-H335-H301+H311+H331
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P261-P280-P305+P351+P338