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2-CYANOMETHYLBENZOICACIDMETHYLESTER

2-CYANOMETHYLBENZOICACIDMETHYLESTER structure

CAS No:
5597-04-6
Formula:
C10H9NO2
Chemical Name:
2-CYANOMETHYLBENZOICACIDMETHYLESTER
Synonyms:
METHYL 2-CYANOMETHYLBENZOATE;cyanomethylbezoicacidmethylester;2-CYANOMETHYLBENZOIC ACID METHYL ESTER;2-CYANOMETHYLBENZOIC ACID METHYL ESTER 98+%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-CYANOMETHYLBENZOICACIDMETHYLESTER Basic Attributes

Molecular Weight：

175.18400

Exact Mass：

175.06300

HScode：

2926909090

Characteristics

PSA：

50.09000

XLogP3：

1.53928

Density：

1.141g/cm3

Melting Point：

49°C

Boiling Point：

133 °C / 1.5mmHg

Flash Point：

149.6ºC

Refractive Index：

1.53

Safety Information

Transport codes：

2811

hazard class code：

R23/24/25

safety instructions：

S26-S36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:175.18
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:175.063328530
Monoisotopic Mass:175.063328530
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-CYANOMETHYLBENZOIC ACID METHYL ESTER

CAS No.: 5597-04-6

Content: 99%

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Guide of 2-CYANOMETHYLBENZOICACIDMETHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
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