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  • O-Methoxybenzoyl chloride
Name:O-Methoxybenzoyl chloride
CAS No:21615-34-9

PRODUCT DESCRIPTION

【Name】
o-Methoxybenzoyl chloride
【Iupac name】
2-methoxybenzoyl chloride
【CAS Registry number】
21615-34-9
【Synonyms】
2-ANISOYL CHLORIDE
2-METHOXYBENZENE-1-CARBONYL CHLORIDE
2-Methoxybenzoic acid chloride
2-METHOXYBENZOYL CHLORIDE
O-ANISIC ACID CHLORIDE
O-ANISOYL CHLORIDE
2-Methoxybenzoesαurechlorid
【EINECS(EC#)】
244-477-5
【Molecular Formula】
C8H7ClO2 (Products with the same molecular formula)
【Molecular Weight】
170.59
【Inchi】
InChI=1/C8H7ClO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
【InChIKey】
RZNHSEZOLFEFGB-UHFFFAOYSA-N
【Canonical SMILES】
COC1=CC=CC=C1C(=O)Cl
【MOL File】
21615-34-9.mol

Chemical and Physical Properties

【Appearance】
clear liquid
【Density】
1.146
【Boiling Point】
128-129℃ (8 torr)
【Refractive Index】
1.5714-1.5734
【Flash Point】
84℃
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29189090
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:170.59298 [g/mol]
Molecular Formula:C8H7ClO2
XLogP3:2.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:170.013457
MonoIsotopic Mass:170.013457
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Formal Charge:0
Complexity:147
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:17

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
300kgs

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