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4-BROMOPHENYL ISOTHIOCYANATE

4-BROMOPHENYL ISOTHIOCYANATE ??? ???
?? ??:
1985-12-2
???:
4-BROMOPHENYL ISOTHIOCYANATE
???(??):
1-BROMO-4-ISOTHIOCYANATOBENZENE;Trichofytocid;4-BROMOPHENYL ISOTHIOCYANATE;P-BROMOPHENYL ISOTHIOCYANATE;Phenylisothiocyanate, 4-bromo;Bromobenzene-4-isothiocyanate;4-BromophenylIsothiocyanate>4-Bromophenyl isothiocyate, 98%;4-Bromophenyl isothiocyanate,98%;4-Bromophenyl isothiocyanate-97%
CBNumber:
CB3396830
???:
C7H4BrNS
??? ??:
214.08
MOL ??:
1985-12-2.mol

4-BROMOPHENYL ISOTHIOCYANATE ??

???
56-58 °C (lit.)
?? ?
144-145 °C (5 mmHg)
??
1.7158 (rough estimate)
???
1.6070 (estimate)
???
>110°C
?? ??
Refrigerator (+4°C)
??? ??
powder to crystal
??
White to Orange to Green
???
11.56mg/L(25℃)
??
Moisture Sensitive
BRN
878549
InChI
1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey
XQACWEBGSZBLRG-UHFFFAOYSA-N
SMILES
Brc1ccc(cc1)N=C=S
CAS ??????
1985-12-2(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn,Xi,C
?? ???? ?? 20/21/22-36/37/38-42
????? 22-26-36/37-45
????(UN No.) 2811
WGK ?? 3
RTECS ?? NX8400000
F ?????? 10-21
?? ?? ?? Harmful/Irritant
?? ?? 6.1
???? III
HS ?? 29309090
???? ??? 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)Health Hazard (GHS08)Corrosion (GHS05)Skull and Crossbones (GHS06)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H312 ??? ???? ??? ?? ?? ?? - ?? ?? 4 ?? P280,P302+P352, P312, P322, P363,P501
H314 ??? ?? ??? ?? ??? ??? ????? ?? ????? ?? 1A, B, C ?? P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H318 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 1 ?? P280, P305+P351+P338, P310
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H331 ???? ??? ?? ?? ?? ?? ?? 3 ?? P261, P271, P304+P340, P311, P321,P403+P233, P405, P501
H334 ?? ? ????? ??, ?? ?? ?? ?? ?? ??? ? ?? ??? ??? ?? ?? 1 ?? P261, P285, P304+P341, P342+P311,P501
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P280 ????/???/???/?????? ?????.
P303+P361+P353 ??(?? ????)? ??? ??? ?? ??? ??? ????? ??? ?? ????/?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P309 ?????? ?? ?? ?? ??
P310 ?? ????(??)? ??? ????. ???? ?? ????(??)? ??? ????.
P342+P311 ??? ??? ???? ????(??)? ??? ????.
NFPA 704
1
2 0

4-BROMOPHENYL ISOTHIOCYANATE C??? ??, ??, ??

??? ??

white to light yellow crystalline powder

??

4-Bromophenyl isothiocyanate was used in the synthesis of 1-(4-bromophenyl)-3-ethyl-(1,2-dideoxy-D-glycero-α-D-galacto-heptofurano)[2,1-d]imidazolidine-2-thione.

Purification Methods

Recrystallise the isothiocyanate from boiling n-hexane. Any insoluble material is most probably the corresponding urea. It is also purified by steam distillation, cool the receiver, add NaCl and extract in Et2O, wash the extract with N H2SO4, dry (MgSO4), evaporate and recrystallise the residual solid. [Cymerman-Craig et al. Org Synth Coll Vol IV 700 1963, cf Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 6 IV 1051, 12 II 354, 12 III 1463p, 12 IV 1519.]

4-BROMOPHENYL ISOTHIOCYANATE ?? ?? ? ???

???

?? ??


4-BROMOPHENYL ISOTHIOCYANATE ?? ??

???( 123)?? ??
??? ?? ??? ?? ?? ? ??
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4-BROMOPHENYL ISOTHIOCYANATE ?? ??:

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