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3-Thiopheneacetic acid

3-Thiopheneacetic acid structure

CAS No:
6964-21-2
Formula:
C6H6O2S
Chemical Name:
3-Thiopheneacetic acid
Synonyms:
3-Thiopheneacetic acid;3-Thienylacetic acid;3-Thiopheneethanoic acid;2-(Thiophen-3-yl)acetic acid;Thiophen-3-ylacetic acid;NSC 66315;2-(3-Thienyl)acetic acid;3-Thiophenacetic acid
Categories:
Chemical Reagents > Organic Reagents

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3-Thiopheneacetic acid Basic Attributes

Molecular Weight：

142.17600

Exact Mass：

142.18

EC Number：

230-166-1

UNII：

3B235D2C4J

NSC Number：

66315

DSSTox ID：

DTXSID10219904

HScode：

29349990

Characteristics

PSA：

65.54000

XLogP3：

1.37520

Appearance：

white solid

Density：

1.336 g/cm3

Melting Point：

79-80 °C

Boiling Point：

274.3ºC at 760 mmHg

Flash Point：

129°C/2.5mm

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1759

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

RTECS Number：

XM7570000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Danger|H314 (13.64%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-thiophene acetic acid

Computed Properties

Molecular Weight:142.18
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:142.00885060
Monoisotopic Mass:142.00885060
Topological Polar Surface Area:65.5
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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