89631-74-3
中文名称
4-(BOC-氨基甲基)异硫氰酸苯酯
英文名称
4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE
CAS
89631-74-3
分子式
C13H16N2O2S
分子量
264.34
MOL 文件
89631-74-3.mol
89631-74-3 结构式
基本信息
英文别名
BAMPITCN-BOC-4-ISOTHIOCYANATOBENZYLAMINE
4-(BOC-AMINOMETHYL)PHENYL ISOTHIOCYANATE
4-(N-T-BOC-AMINOMETHYL)PHENYLISOTHIOCYAN ATE
4-(Boc-aminomethyl)phenyl isothiocyanate ~95%
TERT-BUTYL N-(4-ISOTHIOCYANATOPHENYLMETHYL)CARBAMATE
4-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYL ISOTHIOCYANATE
tert-Butyl N-(4-isothiocyanatophenylmethyl)carbamate, BAMPITC, N-Boc-4-isothiocyanatobenzylamine, 4-(N-tert-Butoxycarbonylaminomethyl)phenyl isothiocyanate
物理化学性质
熔点111-113 °C
沸点416.0±38.0 °C(Predicted)
密度1.11±0.1 g/cm3(Predicted)
储存条件2-8°C
酸度系数(pKa)11.93±0.46(Predicted)
InChI1S/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-10-4-6-11(7-5-10)15-9-18/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyFZQIQTXXAATZOS-UHFFFAOYSA-N
SMILESCC(C)(C)OC(=O)NCc1ccc(cc1)N=C=S
安全数据
警示词危险
危险品标志Xn
危险类别码20/21/22-36/37/38-42
安全说明22-26-36
WGK Germany3
存储类别11 - Combustible Solids
危险性类别Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3