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2,4-Dimethylbenzenethiol

2,4-Dimethylbenzenethiol structure

CAS No:
13616-82-5
Formula:
C8H10S
Chemical Name:
2,4-Dimethylbenzenethiol
Synonyms:
Benzenethiol,2,4-dimethyl-;2,4-Xylenethiol;2,4-Dimethylbenzenethiol;2,4-Thioxylenol;2,4-Dimethylthiophenol;NSC 202925;2,4-Dimethylbenzene-1-thiol
Categories:
Chemical Reagents > Organic Reagents

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2,4-Dimethylbenzenethiol Basic Attributes

Molecular Weight：

138.23000

Exact Mass：

138.23

EC Number：

237-100-0

UNII：

WUI5ZA7FV3

NSC Number：

202925

DSSTox ID：

DTXSID5065560

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

2.59210

Appearance：

clear yellow liquid

Density：

1.022

Melting Point：

91-93 °C

Boiling Point：

204-205 °C

Flash Point：

58ºC

Refractive Index：

1.568-1.57

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.315mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H226; H315; H319; H335

GHS Classification：

|Warning|H226 (91.07%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 56 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4-Dimethylbenzenethiol Use and Manufacturing

Manufacturing Info：

Benzenethiol, 2,4-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:138.23
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:138.05032149
Monoisotopic Mass:138.05032149
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:90.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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