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1-Chloro-3-(isothiocyanatomethyl)benzene

1-Chloro-3-(isothiocyanatomethyl)benzene structure

CAS No:
3694-58-4
Formula:
C8H6ClNS
Chemical Name:
1-Chloro-3-(isothiocyanatomethyl)benzene
Synonyms:
Benzene,1-chloro-3-(isothiocyanatomethyl)-;Isothiocyanic acid,m-chlorobenzyl ester;Toluene,m-chloro-α-isothiocyanato-;1-Chloro-3-(isothiocyanatomethyl)benzene;3-Chlorobenzyl isothiocyanate;m-Chlorobenzyl isothiocyanate

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1-Chloro-3-(isothiocyanatomethyl)benzene Basic Attributes

Molecular Weight：

183.65800

Exact Mass：

183.66

DSSTox ID：

DTXSID40190439

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

2.94280

Density：

1.201 g/cm³ @ Temp: 27 °C

Boiling Point：

140-145 °C @ Press: 6 Torr

Flash Point：

122.4ºC

Refractive Index：

1.581

Water Solubility：

25.16mg/L(25 ºC)

Safety Information

Transport codes：

2810

hazard class code：

R20/21/22

safety instructions：

S26-S36/37/39-S45

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

Computed Properties

Molecular Weight:183.66
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:182.9909481
Monoisotopic Mass:182.9909481
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sulfuryl fluoride; methyl formate; sodium hypochlorite sds; n2o4 name; iodide formula; 2-methyl-2-butene

Guide of 1-Chloro-3-(isothiocyanatomethyl)benzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Chloro-3-(isothiocyanatomethyl)benzene

SDS

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