CAS 5331-91-9|2-metcapto-5-chloro-benzothiazole

Introduction：Basic information about CAS 5331-91-9|2-metcapto-5-chloro-benzothiazole, 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. Articles8
7. Synonyms

Common Name	2-metcapto-5-chloro-benzothiazole
CAS Number	5331-91-9	Molecular Weight	201.696
Density	1.6±0.1 g/cm3	Boiling Point	333.2±44.0 °C at 760 mmHg
Molecular Formula	C₇H₄ClNS₂	Melting Point	198-200 °C(lit.)
MSDS	ChineseUSA	Flash Point	155.3±28.4 °C

Names

Name	5-Chloro-2-mercaptobenzothiazole
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	333.2±44.0 °C at 760 mmHg
Melting Point	198-200 °C(lit.)
Molecular Formula	C₇H₄ClNS₂
Molecular Weight	201.696
Flash Point	155.3±28.4 °C
Exact Mass	200.947372
PSA	79.93000
LogP	3.41
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.786
InChIKey	NKYDKCVZNMNZCM-UHFFFAOYSA-N
SMILES	S=c1[nH]c2cc(Cl)ccc2s1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL6490000

CHEMICAL NAME :: 2-Benzothiazolethiol, 5-chloro-

CAS REGISTRY NUMBER :: 5331-91-9

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H4-Cl-N-S2

MOLECULAR WEIGHT :: 201.69

WISWESSER LINE NOTATION :: T56 BN DSJ CSH HG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD295-864

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi
Risk Phrases	36/37/38
Safety Phrases	S26-S37
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	DL6490000
HS Code	2934999090

Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles8

Analysis of carbohydrates and glycoconjugates by matrix-assisted laser desorption/ionization mass spectrometry: an update for 2009-2010.

Mass Spectrom. Rev. 34(3) , 268-422, (2015)

This review is the sixth update of the original article published in 1999 on the application of MALDI mass spectrometry to the analysis of carbohydrates and glycoconjugates and brings coverage of the ...

In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles.

Toxicol. Sci. 146 , 254-64, (2015)

As in vitro assays are increasingly used to screen chemicals for their potential to produce endocrine disrupting adverse effects, it is important to understand their predictive capacity. The potential...

Matrix optimization for matrix-assisted laser desorption/ionization mass spectrometry of oligosaccharides from human milk.

J. Mass Spectrom. 34 , 98-104, (1999)

Neutral and acidic oligosaccharides from human milk were analyzed by matrix-assisted laser desorption/ionization mass spectrometry (MALDI/MS). These experiments require suitable matrices; their select...

Synonyms

MFCD00005783

5-Chlorobenzo[d]thiazole-2-thiol

5-Chlorobenzo[d]thiazole-2(3H)-thione

2-metcapto-5-chloro-benzothiazole

2(3H)-Benzothiazolethione, 5-chloro-

5-Chloro-1,3-benzothiazole-2(3H)-thione

5-Chloro-2-benzothiazolethiol,CMBT

5-chloro-3H-1,3-benzothiazole-2-thione

EINECS 226-235-0

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