303453
3-溴-2-香豆冉酮
95%
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关于此项目
经验公式（希尔记法）:
C8H5BrO2
化学文摘社编号:
分子量:
213.03
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
方案
95%
mp
107-109 °C (lit.)
溶解性
ethyl acetate: soluble 25 mg/mL, clear, colorless to yellow
官能团
bromo
储存温度
2-8°C
SMILES字符串
BrC1C(=O)Oc2ccccc12
InChI
1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,7H
InChI key
MXSVEBOOHMKMQG-UHFFFAOYSA-N
一般描述
3-Bromo-2-coumaranone has been tested for allergenicity by murine local lymph-node assay.
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
J J Hostýnek et al.
Archives of dermatological research, 287(6), 567-571 (1995-01-01)
A structure-activity relationship model for prediction of contact allergenic potential of chemicals had previously been developed. The model had been shown to be able to classify known allergens and nonallergens using data on physicochemical and reactivity parameters of functional groups
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