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3-Methylphenyl isothiocyanate

3-Methylphenyl isothiocyanate structure

CAS No:
621-30-7
Formula:
C8H7NS
Chemical Name:
3-Methylphenyl isothiocyanate
Synonyms:
Benzene,1-isothiocyanato-3-methyl-;Isothiocyanic acid,m-tolyl ester;1-Isothiocyanato-3-methylbenzene;3-Methylphenyl isothiocyanate;m-Tolyl isothiocyanate;m-Methylphenyl isothiocyanate;3-Tolyl isothiocyanate;m-Tolyl isothiocyanate
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR FAINTLY YELLOW LIQUID

3-Methylphenyl isothiocyanate Basic Attributes

Molecular Weight：

149.21

Exact Mass：

149.21

BRN：

878488

EC Number：

210-677-6

UNII：

Q9QG8LTY5U

DSSTox ID：

DTXSID70211146

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

2.72930

Appearance：

CLEAR FAINTLY YELLOW LIQUID

Density：

1.103 g/mL at 25 °C(lit.)

Melting Point：

239 °C

Boiling Point：

243 °C

Flash Point：

222 °F

Refractive Index：

n20/D 1.6328(lit.)

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：

hazard class code：

20/21/22-36/37/38-42/43-23/24/25

safety instructions：

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

Marks：

Xn,T

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Danger|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|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, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:149.21
XLogP3:4.1
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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3-Methylphenyl isothiocyanate

CAS No.: 621-30-7

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Guide of 3-Methylphenyl isothiocyanate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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3-Methylphenyl isothiocyanate

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