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BENZYL ISOTHIOCYANATE

BENZYL ISOTHIOCYANATE ??? ???
?? ??:
622-78-6
???:
BENZYL ISOTHIOCYANATE
???(??):
BITC;(Isothiocyanatomethyl)benzene;Urogran;1-(ISOTHIOCYANATOMETHYL)BENZENE;AB 2;Tromalyt;Tromacaps;NSC 118976;Benzylsenfoel;benzylmustardoil
CBNumber:
CB4767442
???:
C8H7NS
??? ??:
149.21
MOL ??:
622-78-6.mol
MSDS ??:
SDS

BENZYL ISOTHIOCYANATE ??

???
41 °C
?? ?
242-243 °C(lit.)
??
1.125 g/mL at 25 °C(lit.)
FEMA
4428 | BENZYL ISOTHIOCYANATE
???
n20/D 1.6018(lit.)
???
>235 °F
?? ??
2-8°C
???
0.1g/L
??? ??
??
Specific Gravity
1.125
??
?? ???
??
????? ??? ? 0.10%. ??? ??? ??? ?? ?? ???? ???
?? ??
???
???? ??
synthetic
???
??? ???????.
??
Moisture Sensitive
JECFA Number
1562
BRN
386135
?? ??
?? ? ?
InChI
1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
MDKCFLQDBWCQCV-UHFFFAOYSA-N
SMILES
S=C=NCc1ccccc1
LogP
3.16
CAS ??????
622-78-6(CAS DataBase Reference)
EPA
Benzene, (isothiocyanatomethyl)- (622-78-6)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn,C,T
?? ???? ?? 20/21/22-36/37/38-42/43
????? 26-36/37/39
????(UN No.) 2810
WGK ?? 3
RTECS ?? NX8250000
F ?????? 8-19-21
?? ?? ?? Corrosive/Harmful/Store under nitrogen
TSCA TSCA listed
?? ?? 8
???? III
HS ?? 29309090
???? ??? 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
?? mmo-sat 150 mg/plate ABCHA6 44,3017,80
????(GHS): Exclamation Mark (GHS07)Health Hazard (GHS08)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H317 ????? ?? ??? ??? ? ?? ?? ??? ?? ?? 1 ?? P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H334 ?? ? ????? ??, ?? ?? ?? ?? ?? ??? ? ?? ??? ??? ?? ?? 1 ?? P261, P285, P304+P341, P342+P311,P501
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
3 1

BENZYL ISOTHIOCYANATE C??? ??, ??, ??

??? ??

clear yellow liquid

??

Reported found in common cress, Lepidium sativum, nasturtium, and Tropaeolum majus.

??

A novel medical application of isothiocyanate ester in treating various leukemia, with low toxicity, which includes benzyl isothiocyanate, phenylethyl isothiocyanate, allyl isothiocyanate, sulforaphane, and erucin. Benzyl isothiocyanate (BITC) inhibits the growth of human pancreatic cancer cells by inducing apoptosis.

?? ??

Benzyl isothiocyanate is synthesized by the following two methods: I) from Benzylamine via Thiuramdisulfide via Sodiumsalt with Iodine to Benzyl-isothiocyanate. 2) from Benzylamine and Thiocarbonyl chloride.

?? ??

Benzyl isothiocyanate is a naturally-occurring constituent of cruciferous vegetables. It has antibacterial properties and its metabolism in man has been investigated. It inhibits chemically induced cancer in animal models.

???

Very irritant to tissues.

Safety Profile

Poison by intraperitoneal andsubcutaneous routes. Intensely irritating. Mutation datareported. Moderate fire hazard via heat, flame, andoxidizers. To fight fire, use water, spray, foam, drychemical. When heated to decomposition it emits verytoxic NOx

Solubility in organics

Soluble in alcohol and oils.

BENZYL ISOTHIOCYANATE ?? ?? ? ???

???

?? ??


BENZYL ISOTHIOCYANATE ?? ??

???( 312)?? ??
??? ?? ??? ?? ?? ? ??
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BENZYL ISOTHIOCYANATE ?? ??:

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