2-Amino-6-chlorobenzonitrile (HCID 81056)

Names & identifiers

Preferred name: 2-Amino-6-chlorobenzonitrile
IUPAC: 2-amino-6-chlorobenzonitrile
English name: 2-Amino-6-chlorobenzonitrile
Molecular formula: C7H5ClN2
Molecular weight: 152.58

Names & synonyms

2-Amino-6-chlorobenzonitrile6575-11-7NSC 129936DTXSID60215956EINECS 229-501-4RefChem:464745DTXCID90138447229-501-4Benzonitrile, 2-amino-6-chloro-Benzonitrile,2-amino-6-chloro-6-Chloroanthranilonitrile3-Chloro-2-cyanoaniline

Show more names

0/7/752-AMino-6-chlorobenzonitrile 96%6-Chloroanthranilonitrile, 3-Chloro-2-cyanoaniline

MFCD000155462-amino-6-chloro-benzonitrile6-Amino-2-chlorobenzonitrile2-amino-6-chloro benzonitrileNSC-129936AM808207SY011984EN300-24404

Database identifiers

CAS: 6575-11-7
PubChem CID: 81056
DTXSID: DTXSID60215956
UNII: YS5D5JX4JG
EC Number: 229-501-4
Nikkaji: J225.198A

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: 134 · 134-136 °C(lit.)
Boiling point: 327 · 327.0±27.0 °C(Predicted)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Solid
pka: 0.76 · 0.76±0.10(Predicted)
color: Light Yellow to Yellow
BRN: 2717090 · 2717090
InChI: 1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
SMILES: Nc1cccc(Cl)c1C#N
CAS DataBase Reference: 6575 · 6575-11-7(CAS DataBase Reference)
NIST Chemistry Reference: 6 · 6-Chloroanthranilonitrile(6575-11-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317
Precautionary statements: 280 · P280
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 43 · 43-36/37/38-20/21/22
Safety Statements: 36 · 36/37-36/37/39-26-22
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2926907090 · 2926907090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (12.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (85.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 5 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. 3 (12.8%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (12.8%)；Skin Sens. 1 (85.1%)；Eye Irrit. 2A (12.8%)；Acute Tox. 4 (10.6%)；STOT SE 3 (12.8%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: 3439
hs_code: 2926907090
risk_code: 43-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 36/37-36/37/39-26-22
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H317
Hazard Classifications: Skin Sens. 1
Precautionary statements: P280

Chemistry & industry

Applications

Uses2-Amino-6-chlorobenzonitrile is a useful reagent for the preparation of oxo pentylcyclopentyl acetamide derivatives for plant growth regulators.