CAS 98-91-9|Thiobenzoic acid

Introduction：Basic information about CAS 98-91-9|Thiobenzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

Common Name	Thiobenzoic acid
CAS Number	98-91-9	Molecular Weight	138.18700
Density	1.174 g/mL at 25 °C(lit.)	Boiling Point	122 °C30 mm Hg(lit.)
Molecular Formula	C₇H₆OS	Melting Point	15-18 °C(lit.)
MSDS	ChineseUSA	Flash Point	>230 °F
Symbol	GHS07	Signal Word	Warning

Names

Name	Thiobenzoic acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.174 g/mL at 25 °C(lit.)
Boiling Point	122 °C30 mm Hg(lit.)
Melting Point	15-18 °C(lit.)
Molecular Formula	C₇H₆OS
Molecular Weight	138.18700
Flash Point	>230 °F
Exact Mass	138.01400
PSA	55.87000
LogP	1.75660
Index of Refraction	n20/D 1.605(lit.)
InChIKey	UIJGNTRUPZPVNG-UHFFFAOYSA-N
SMILES	O=C(S)c1ccccc1
Storage condition	2-8°C
Water Solubility	insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH6839000

CHEMICAL NAME :: Benzoic acid, thio-

CAS REGISTRY NUMBER :: 98-91-9

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H6-O-S

MOLECULAR WEIGHT :: 138.19

WISWESSER LINE NOTATION :: SHVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 350 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 112,53,1973

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S28-S36-S24/25
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	DH6839000
HS Code	29309070

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles1

Far- and near-field properties of gold nanoshells studied by photoacoustic and surface-enhanced Raman spectroscopies.

Phys. Chem. Chem. Phys. 17 , 21190-7, (2015)

Gold nanoshells, with a silica core and different core and shell dimensions, have been extensively investigated. Optical far-field properties, namely extinction and absorption, have been separately de...

Synonyms

benzenecarbothioic S-acid

EINECS 202-712-9

MFCD00004852

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