CAS 1300-64-7 2-Methoxybenzoyl chloride (HCID 88969)

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Basic information

CAS: 1300-64-7
Standard SMILES: COc1ccccc1C(=O)Cl
InChIKey: RZNHSEZOLFEFGB-UHFFFAOYSA-N
Molecular formula: C8H7ClO2
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.01345714

Names & identifiers

Preferred name: 2-Methoxybenzoyl chloride
IUPAC: 2-methoxybenzoyl chloride
English name: methoxybenzoyl chloride
Molecular formula: C8H7ClO2
Molecular weight: 170.6

Names & synonyms

2-Methoxybenzoyl chloride21615-34-9Benzoyl chloride, 2-methoxy-2-anisoyl chlorideDH3HW7ZFD8DTXSID70885169RefChem:1063594DTXCID601024566244-477-5o-Anisoyl chlorideMethoxybenzoyl chlorideo-Methoxybenzoyl chloride

Show more names

Nsc174039

MFCD00000664Benzoyl chloride, methoxy-1300-64-72-methoxy-benzoyl chlorideo-anisoylchloride2-METHOXYBENZOYLCHLORIDEEINECS 215-088-8ortho-anisoyl chloride

Database identifiers

CAS: 1300-64-7、21615-34-9
PubChem CID: 88969
DTXSID: DTXSID70885169
UNII: DH3HW7ZFD8
EC Number: 215-088-8、244-477-5
Nikkaji: J150.884I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

FDA UNII: 2 N62KD6V8 · D2N62KD6V8
EPA Substance Registry System: Benzoyl chloride, methoxy- (1300-64-7)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.