4-Acetamidobenzoyl chloride

HCID 7010341

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Basic information

CAS: 16331-48-9
Standard SMILES: CC(=O)Nc1ccc(C(=O)Cl)cc1
InChIKey: KRKXGCJUNKZXOY-UHFFFAOYSA-N
Molecular formula: C9H8ClNO2
Average molar mass: 197.62 g/mol
Monoisotopic mass: 197.0243562

Names & identifiers

Preferred name: 4-Acetamidobenzoyl chloride
IUPAC: 4-acetamidobenzoyl chloride
English name: 4-Acetamidobenzoyl chloride
Molecular formula: C9H8ClNO2
Molecular weight: 197.62

Names & synonyms

4-ACETAMIDOBENZOYL CHLORIDE16331-48-9DTXSID70426632RefChem:289601DTXCID00377466Benzoyl chloride, 4-(acetylamino)-4-acetylaminobenzoyl chloride4-(acetylamino)benzoyl chloride4-AcetamidobenzoylchlorideMFCD02094022SCHEMBL64499KRKXGCJUNKZXOY-UHFFFAOYSA-N

Show more names

ALBB-031005SBB067901AKOS005207010AS-47800BP-10799DB-043556F16187F532532

Database identifiers

CAS: 16331-48-9
PubChem CID: 7010341
DTXSID: DTXSID70426632
EC Number: 679-035-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 210

Physicochemical properties

Melting point: 180 °C · 180°C
Boiling point: 387.3 · 387.3±25.0 °C(Predicted)
Density: 1.326 · 1.326±0.06 g/cm3(Predicted)
pka: 14.46 · 14.46±0.70(Predicted)
form: solid
color: Beige
Sensitive: Moisture Sensitive
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3261 · 3261
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

Safety data

ridadr: 3261
hs_code: 2924297099
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS05
safety_code: 26-36/37/39
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a