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线性分子式:
C10H7CH(CH3)NCO
化学文摘社编号:
分子量:
197.23
PubChem Substance ID:
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
4675071
MDL number:
SMILES string
C[C@H](N=C=O)c1cccc2ccccc12
InChI
1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m0/s1
InChI key
GONOHGQPZFXJOJ-JTQLQIEISA-N
assay
99%
optical activity
[α]20/D +45°, c = 3.5 in toluene
optical purity
ee: 96% (GLC)
quality
stabilized
bp
106-108 °C/0.16 mmHg (lit.)
density
1.128 g/mL at 25 °C (lit.)
storage temp.
2-8°C
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
199.4 °F - closed cup
flash_point_c
93 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
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