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  • Benzoyl chloride,3-methoxy
Name:Benzoyl chloride,3-methoxy
CAS No:1711-05-3

PRODUCT DESCRIPTION

【Name】
Benzoyl chloride,3-methoxy-
【Iupac name】
3-methoxybenzoyl chloride
【CAS Registry number】
1711-05-3
【Synonyms】
3-Methoxybenzoic acid chloride
m-Anisoyl chloride
m-Methoxybenzoyl chloride
m-Anisoylchloride (7CI,8CI)
3-(Methyloxy)benzoyl chloride
3-Anisoyl chloride
【EINECS(EC#)】
216-975-2
【Molecular Formula】
C8H7ClO2 (Products with the same molecular formula)
【Molecular Weight】
170.59
【Inchi】
InChI=1/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
【InChIKey】
RUQIUASLAXJZIE-UHFFFAOYSA-N
【Canonical SMILES】
COC1=CC=CC(=C1)C(=O)Cl
【MOL File】
1711-05-3.mol

Chemical and Physical Properties

【Appearance】
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
【Density】
1.214
【Boiling Point】
123-125℃
【Vapour】
0.0308mmHg at 25°C
【Refractive Index】
1.558
【Flash Point】
92℃
【Computed Properties】
Molecular Weight:170.59298 [g/mol]
Molecular Formula:C8H7ClO2
XLogP3:3
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:8

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R34;R36/37
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【Safety】

Hazard Codes: CorrosiveC 
Risk Statements: 34-36/37 
R34:Causes burns. 
R36/37:Irritating to eyes and respiratory system. 
Safety Statements: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
RIDADR: UN 1729 8/PG 2
WGK Germany: 3
F: 10-19-21 
HazardClass: 8 
PackingGroup: II

【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 1729
【Specification】

 3-Methoxybenzoyl chloride (CAS NO.1711-05-3) is also named as Benzoyl chloride, 3-methoxy- ; m-Anisoyl chloride . 3-Methoxybenzoyl chloride (CAS NO.1711-05-3) is clear colourless to light yellow liquid.

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