CAS 622-59-3|4-Methylphenyl isothiocyanate

Introduction：Basic information about CAS 622-59-3|4-Methylphenyl isothiocyanate, 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. Articles3
7. Synonyms

Common Name	4-Methylphenyl isothiocyanate
CAS Number	622-59-3	Molecular Weight	149.21300
Density	1.02 g/cm3	Boiling Point	237 °C(lit.)
Molecular Formula	C₈H₇NS	Melting Point	25-26 °C(lit.)
MSDS	ChineseUSA	Flash Point	107 °C
Symbol	GHS07, GHS08	Signal Word	Danger

Names

Name	4-Methylphenyl isothiocyanate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.02 g/cm3
Boiling Point	237 °C(lit.)
Melting Point	25-26 °C(lit.)
Molecular Formula	C₈H₇NS
Molecular Weight	149.21300
Flash Point	107 °C
Exact Mass	149.03000
PSA	44.45000
LogP	2.72930
Index of Refraction	n20/D 1.6345(lit.)
InChIKey	ABQKHKWXTUVKGF-UHFFFAOYSA-N
SMILES	Cc1ccc(N=C=S)cc1
Water Solubility	MAY DECOMPOSE

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX9500000

CHEMICAL NAME :: Isothiocyanic acid, 4-tolyl ester

CAS REGISTRY NUMBER :: 622-59-3

BEILSTEIN REFERENCE NO. :: 0386032

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H7-N-S

MOLECULAR WEIGHT :: 149.22

WISWESSER LINE NOTATION :: SCNR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 150 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966

Safety Information

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H315-H317-H319-H334-H335
Precautionary Statements	P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	T:Toxic;Xn:Harmful;
Risk Phrases	R23/24/25;R36/37/38;R42/43
Safety Phrases	S22-S26-S36-S45-S36/37/39
RIDADR	UN 2811 6.1/PG 2
WGK Germany	3
RTECS	NX9500000
Packaging Group	III
Hazard Class	6.1
HS Code	2930909090

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%

Articles3

Colorimetric "naked eye" sensing of anions in aqueous solution.

J. Org. Chem. 70(26) , 10875-8, (2005)

[structure: see text] The synthesis and UV-vis and NMR spectroscopic studies of thiourea-based colorimetric sensors for anions are presented. These sensors can recognize anions through hydrogen bindin...

Synthesis of N-(purin-8-yl)arylamines.

Chem. Res. Toxicol. 6(4) , 480-5, (1993)

Methods for direct synthesis of N-(purin-8-yl)arylamines were investigated. N-(Purin-8-yl)arylamines are adducts from reaction of electrophilic metabolites of arylamines with DNA and have not been rea...

Polypeptide end-capping using functionalized isocyanates: preparation of pentablock copolymers. Brzezinska KR, et al.

Macromolecules 35(8) , 2970-76, (2002)

Synonyms

1-isothiocyanato-4-methylbenzene

MFCD00004813

EINECS 210-745-5

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