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2-Methylphenyl isothiocyanate

2-Methylphenyl isothiocyanate structure

CAS No:
614-69-7
Formula:
C8H7NS
Chemical Name:
2-Methylphenyl isothiocyanate
Synonyms:
Benzene,1-isothiocyanato-2-methyl-;Isothiocyanic acid,o-tolyl ester;1-Isothiocyanato-2-methylbenzene;o-Tolyl isothiocyanate;o-Methylphenyl isothiocyanate;2-Methylphenyl isothiocyanate;2-Tolyl isothiocyanate;NSC 220230;2124236-53-7
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR YELLOW LIQUID

2-Methylphenyl isothiocyanate Basic Attributes

Molecular Weight：

149.21

Exact Mass：

149.21

BRN：

878487

EC Number：

210-390-6

UNII：

U0ST94Z07Y

NSC Number：

220230

DSSTox ID：

DTXSID60210325

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

2.72930

Appearance：

Clear yellow Liquid

Density：

1.115 g/cm³

Melting Point：

236 °C

Boiling Point：

238-240 °C

Flash Point：

107 °C

Refractive Index：

1.6351-1.6371

Water Solubility：

H2O: MAY DECOMPOSE

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2206

wgk germany：

WGK 3 highly water endangering

hazard class code：

42/43-20/21/22-36/37/38

safety instructions：

45-36/37/39-26-37/39

Marks：

Xn,T

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

GHS Classification：

|Warning|H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-tolyl isothiocyanate

Computed Properties

Molecular Weight:149.21
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:149.02992040
Monoisotopic Mass:149.02992040
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Methylphenyl isothiocyanate

CAS No.: 614-69-7

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Guide of 2-Methylphenyl isothiocyanate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Recommended Suppliers
Latest News
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2-Methylphenyl isothiocyanate

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