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Benzene, 2,4-diisothiocyanato-1-methyl-

Benzene, 2,4-diisothiocyanato-1-methyl- structure

CAS No:
4891-66-1
Formula:
C9H6N2S2
Chemical Name:
Benzene, 2,4-diisothiocyanato-1-methyl-
Synonyms:
Benzene,2,4-diisothiocyanato-1-methyl-;Isothiocyanic acid,4-methyl-m-phenylene ester;Isothiocyanic acid 2,4-tolylene ester;Toluene-2,4-dithioisocyanate;2,4-Tolylene diisothiocyanate;NSC 511742;2,4-Diisothiocyanatotoluene;2,4-Diisothiocyanato-1-methylbenzene

Description

ChEBI: A toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.

Toluene 2,4-diisothiocyanate is a toluene meta-diisothiocyanate in which the isothiocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. It has a role as a hapten.

Benzene, 2,4-diisothiocyanato-1-methyl- Basic Attributes

Molecular Weight：

206.28700

Exact Mass：

206.29

NSC Number：

511742

DSSTox ID：

DTXSID30197639

HScode：

2930909090

Characteristics

PSA：

88.90000

XLogP3：

3.46360

Density：

1.17g/cm3

Melting Point：

54.4 °C

Boiling Point：

151 °C @ Press: 4 Torr

Flash Point：

192.2ºC

Refractive Index：

1.627

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

26-36

RTECS Number：

NX8930000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H312-H315-H319-H332-H334-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:206.3
XLogP3:5.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:205.99724055
Monoisotopic Mass:205.99724055
Topological Polar Surface Area:88.9
Heavy Atom Count:13
Complexity:265
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzene, 2,4-diisothiocyanato-1-methyl-

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Benzene, 2,4-diisothiocyanato-1-methyl-

SDS

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