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622-78-6

622-78-6 structure
622-78-6 structure
  • Name: a-Isothiocyanatotoluene
  • Chemical Name: benzyl isothiocyanate
  • CAS Number: 622-78-6
  • Molecular Formula: C8H7NS
  • Molecular Weight: 149.213
  • Catalog: Chemical reagent Organic reagent Thiocyanate/isothiocyanate
  • Create Date: 2018-09-06 16:30:23
  • Modify Date: 2025-08-24 21:01:03
  • Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].
Name benzyl isothiocyanate
Synonyms MFCD00004819
Toluene, α-isothiocyanato-
(Isothiocyanatomethyl)benzene
a-Isothiocyanatotoluene
EINECS 210-753-9
Benzyl isothiocyanate
Benzene, (isothiocyanatomethyl)-
Density 1.0±0.1 g/cm3
Boiling Point 243.8±9.0 °C at 760 mmHg
Melting Point 41 °C
Molecular Formula C8H7NS
Molecular Weight 149.213
Flash Point 100.4±26.5 °C
Exact Mass 149.029922
PSA 44.45000
LogP 3.02
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.560

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8250000
CHEMICAL NAME :
Isothiocyanic acid, benzyl ester
CAS REGISTRY NUMBER :
622-78-6
BEILSTEIN REFERENCE NO. :
0386135
LAST UPDATED :
199701
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H7-N-S
MOLECULAR WEIGHT :
149.22
WISWESSER LINE NOTATION :
SCN1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
TYPE OF TEST :
Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :
Mammal - species unspecified
DOSE/DURATION :
800 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302-H312-H315-H319-H332-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39
RIDADR 2810
WGK Germany 3
RTECS NX8250000
Packaging Group III
Hazard Class 8
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title: CAS No. 622-78-6 | Chemsrc address: https://www.chemsrc.com/en/baike/1183513.html

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