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1-(Isothiocyanatomethyl)-4-methylbenzene

1-(Isothiocyanatomethyl)-4-methylbenzene structure

CAS No:
3694-46-0
Formula:
C9H9NS
Chemical Name:
1-(Isothiocyanatomethyl)-4-methylbenzene
Synonyms:
Benzene,1-(isothiocyanatomethyl)-4-methyl-;Isothiocyanic acid,p-methylbenzyl ester;1-(Isothiocyanatomethyl)-4-methylbenzene;p-Methylbenzyl isothiocyanate;4-Methylbenzyl isothiocyanate;1-Isothiocyanatomethyl-4-methylbenzene;NSC 221231

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1-(Isothiocyanatomethyl)-4-methylbenzene Basic Attributes

Molecular Weight：

163.23900

Exact Mass：

163.24

NSC Number：

221231

DSSTox ID：

DTXSID40190434

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

2.59780

Density：

1.08

Boiling Point：

155 °C @ Press: 17 Torr

Flash Point：

97°C/1mm

Refractive Index：

1.5890

Water Solubility：

26.12mg/L(25 ºC)

Safety Information

Packing level：

III

Transport codes：

2810

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36/37/39

RTECS Number：

NX8860000

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:163.24
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-(isothiocyanatomethyl)-4-methylbenzene

CAS No.: 3694-46-0

Content: 99.00%

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Guide of 1-(Isothiocyanatomethyl)-4-methylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-(Isothiocyanatomethyl)-4-methylbenzene

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