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2-???-5-????????

2-???-5-????????
2-???-5-???????? ??? ???
?? ??:
138642-47-4
???:
2-???-5-????????
???(??):
2-???-5-????????
???:
2-Bromo-5-methoxybenzonitrile
???(??):
KML-45;4-Bromo-3-cyanoanisole;2-BROMO-5-METHOXYBENZONITRILE;Benzonitrile, 2-bromo-5-methoxy-;2-BroMo-5-Methoxybenzonitrile 97%;4-Bromo-3-cyanoanisole, 6-Bromo-m-anisonitrile
CBNumber:
CB11484530
???:
C8H6BrNO
??? ??:
212.04
MOL ??:
138642-47-4.mol

2-???-5-???????? ??

???
99-102 °C
?? ?
292.8±30.0 °C(Predicted)
??
1.56±0.1 g/cm3(Predicted)
?? ??
2-8°C
??? ??
??
??? ??
??? ??
??
??? ??
InChI
InChI=1S/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChIKey
ZQONVYONOASKIY-UHFFFAOYSA-N
SMILES
C(#N)C1=CC(OC)=CC=C1Br
CAS ??????
138642-47-4
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn
?? ???? ?? 22
????? 36/37
????(UN No.) UN3439
WGK ?? 3
?? ?? 6.1
???? III
HS ?? 29269090
???? ??? 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
????(GHS): Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H312 ??? ???? ??? ?? ?? ?? - ?? ?? 4 ?? P280,P302+P352, P312, P322, P363,P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H331 ???? ??? ?? ?? ?? ?? ?? 3 ?? P261, P271, P304+P340, P311, P321,P403+P233, P405, P501
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P280 ????/???/???/?????? ?????.
P304+P340 ???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P405 ???? ?????.
NFPA 704
1
2 0

2-???-5-???????? C??? ??, ??, ??

??

2-Bromo-5-methoxybenzonitrile (10.0 g, 47.2 mmol) was dissolved in dry tetrahydrofuran (100 mL) in a flame-dried flask and cooled in an ice bath. A solution of borane in tetrahydrofuran (75 mL, 75 mmol, 1.0 M) was added dropwise over 30 minutes. The reaction mixture was stirred overnight at rt, then quenched slowly with ice water and Na2CO3 (saturated aqueous solution). After removing THF, the residue was extracted with large amounts of EtOAc three times. The combined organic layers were washed with water, dried, and concentrated to give the crude, which was purified by silica gel column chromatography to give 1-(2-Bromo-5-methoxyphenyl)methanamine as a white powder (3.65 g, 36%).

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