4-(2-Thienyl)Benzoyl Chloride

HCID 2776331

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Basic information

CAS: 181132-70-7
Standard SMILES: O=C(Cl)c1ccc(-c2cccs2)cc1
InChIKey: WWIBCNCKODGBTI-UHFFFAOYSA-N
Molecular formula: C11H7ClOS
Average molar mass: 222.69 g/mol
Monoisotopic mass: 221.9906137

Names & identifiers

Preferred name: 4-(2-Thienyl)Benzoyl Chloride
IUPAC: 4-thiophen-2-ylbenzoyl chloride
English name: 4-(2-Thienyl)benzoyl chloride
Molecular formula: C11H7ClOS
Molecular weight: 222.69

Names & synonyms

4-(2-Thienyl)Benzoyl Chloride181132-70-7DTXSID30379993RefChem:287439DTXCID103310194-(thiophen-2-yl)benzoyl chloride4-thiophen-2-ylbenzoyl chloride4-Thien-2-ylbenzoyl chlorideMFCD02681905Benzoyl chloride,4-(2-thienyl)-SCHEMBL10203614-(2-thienyl) benzoyl chloride

Show more names

Benzoyl chloride, 4-(2-thienyl)-

4-(thiophen-2-yl)benzoylchlorideWWIBCNCKODGBTI-UHFFFAOYSA-NAKOS015912213DB-031449F9995-1804

Database identifiers

CAS: 181132-70-7
PubChem CID: 2776331
DTXSID: DTXSID30379993
EC Number: 808-932-7

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 211

Physicochemical properties

Melting point: 113 °C · 113 °C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · 3261
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 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.