2-Amino-4-chlorobenzamide

HCID 12374837

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Basic information

CAS: 5900-59-4
Standard SMILES: NC(=O)c1ccc(Cl)cc1N
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
Molecular formula: C7H7ClN2O
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.0246905

Names & identifiers

Preferred name: 2-Amino-4-chlorobenzamide
IUPAC: 2-amino-4-chlorobenzamide
English name: 2-amino-4-chlorobenzamide
Molecular formula: C7H7ClN2O
Molecular weight: 170.6

Names & synonyms

2-amino-4-chlorobenzamide5900-59-4DTXSID20495035RefChem:85192DTXCID90445845809-310-82-Amino-4-chloro-benzamideMFCD09042792Benzamide, 2-amino-4-chloro-2-Amino-4-chlorbenzamid2-Amino4-chlorobenzamideSCHEMBL160570

Show more names

4-Chloroanthranilamide2-aMino-4-chlrobenzaMide2-amino-4-chlorophenylformamide2-amino-4-chlorobenzamide(SALTDATA: FREE)

SCHEMBL1805947QNEJYHVIYJFNHC-UHFFFAOYSA-NBBL022498STL253498AKOS000113641CS-W003587SB37819FA140221

Database identifiers

CAS: 5900-59-4
PubChem CID: 12374837
DTXSID: DTXSID20495035
EC Number: 809-310-8
Nikkaji: J2.077.305G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 181.5 °C · 181.5 °C
Boiling point: 308.8 · 308.8±27.0 °C(Predicted)
Density: 1.394 · 1.394±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 15.48 · 15.48±0.50(Predicted)
Appearance: Off-white to light yellow Solid
InChI: 1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
SMILES: O=C(N)C(C(N)=C1)=CC=C1Cl
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H317
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37
WGK Germany: 3 · WGK 3
HS Code: 2924297099 · 2924297099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 40 reports by companies from 2 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 (100%)；Skin Sens. 1 (97.5%)；Eye Irrit. 2A (100%)

Safety data

wgk: WGK 3
hs_code: 2924297099
risk_code: 43
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H302-H317
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501