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3-CHLORO-45-DIMETHOXYBENZONITRILE97

3-CHLORO-45-DIMETHOXYBENZONITRILE97 structure

CAS No:
90537-30-7
Formula:
C9H8ClNO2
Chemical Name:
3-CHLORO-45-DIMETHOXYBENZONITRILE97
Synonyms:
3-Chloro-4,5-dimethoxybenzonitrile;3-Chloro-4,5-dimethoxy-benzonitrile;ACMC-20an6v;3-CHLOROVERATRONITRILE;SCHEMBL524326;CTK3I8714;DTXSID60356939;ZINC365888;STK397521;AKOS000304955

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3-CHLORO-45-DIMETHOXYBENZONITRILE97 Basic Attributes

Molecular Weight：

197.61800

Exact Mass：

197.02400

DSSTox ID：

DTXSID60356939

HScode：

2926909090

Characteristics

PSA：

42.25000

XLogP3：

2.22888

Density：

1.26g/cm3

Melting Point：

101-105ºC(lit.)

Boiling Point：

282.4ºC at 760mmHg

Flash Point：

124.6ºC

Refractive Index：

1.538

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Xi: Irritant;

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:197.62
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:197.0243562
Monoisotopic Mass:197.0243562
Topological Polar Surface Area:42.2
Heavy Atom Count:13
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CHLORO-45-DIMETHOXYBENZONITRILE97

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-CHLORO-45-DIMETHOXYBENZONITRILE97

SDS

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