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Thiobenzoic acid

Thiobenzoic acid structure

CAS No:
98-91-9
Formula:
C7H6OS
Chemical Name:
Thiobenzoic acid
Synonyms:
Benzenecarbothioic acid;Benzoic acid,thio-;Benzoic acid,thiono-;Thiobenzoic acid;Benzoyl thiol;Monothiobenzoic acid;NSC 66502;Benzothioic acid
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow to brown liquid

Thiobenzoic acid Basic Attributes

Molecular Weight：

138.19

Exact Mass：

138.19

BRN：

1071790

EC Number：

202-712-9

UNII：

GBG5RLO56N

NSC Number：

66502

DSSTox ID：

DTXSID3059181

HScode：

29309070

Characteristics

PSA：

55.87000

XLogP3：

1.75660

Appearance：

Clear yellow to brown Liquid

Density：

1.174 g/mL at 25 °C(lit.)

Melting Point：

24 °C

Boiling Point：

75 °C @ Press: 3 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.605(lit.)

Water Solubility：

H2O: insoluble

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-28-36-24/25

RTECS Number：

DH6839000

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：

H315-H319-H335

GHS Classification：

|Danger|H290 (18.97%): May be corrosive to metals [Warning Corrosive to Metals]|P234, 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, P390, P403+P233, P404, P405, and P501|Aggregated GHS information provided by 58 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Thiobenzoic acid Use and Manufacturing

Uses

Organic intermediate.

Manufacturing Info：

Benzenecarbothioic acid: ACTIVE

Computed Properties

Molecular Weight:138.19
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.01393598
Monoisotopic Mass:138.01393598
Topological Polar Surface Area:18.1
Heavy Atom Count:9
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Thiobenzoic acid

CAS No.: 98-91-9

Content: 99.00%

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