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2,4-Dimethylthiophene

2,4-Dimethylthiophene structure

CAS No:
638-00-6
Formula:
C6H8S
Chemical Name:
2,4-Dimethylthiophene
Synonyms:
Thiophene,2,4-dimethyl-;2,4-Dimethylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2,4-Dimethylthiophene Basic Attributes

Molecular Weight：

112.19

Exact Mass：

112.19

EC Number：

211-312-3

UNII：

Q9B2TF3UVC

DSSTox ID：

DTXSID40213238

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

2.36490

Density：

0,994 g/cm3

Melting Point：

-66.9°C (estimate)

Boiling Point：

140.7 °C

Flash Point：

104.972ºC

Refractive Index：

1.607

Water Solubility：

351.5 mg/L @ 25 °C (est)

Safety Information

Hazard category：

IRRITANT

Transport codes：

1993

hazard class code：

10-36/37/38

safety instructions：

16-36/37/39-26

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:112.19
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:112.03467143
Monoisotopic Mass:112.03467143
Topological Polar Surface Area:28.2
Heavy Atom Count:7
Complexity:61.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes