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经验公式(希尔记法):
C3H5ClO
化学文摘社编号:
分子量:
92.52
EC Number:
424-280-2
UNSPSC Code:
12352103
PubChem Substance ID:
Beilstein/REAXYS Number:
1420785
MDL number:
InChI key
BRLQWZUYTZBJKN-VKHMYHEASA-N
InChI
1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1
SMILES string
ClC[C@H]1CO1
vapor density
3.29 (vs air)
vapor pressure
10 mmHg ( 16.6 °C)
assay
99%
optical activity
[α]20/D −34°, c = 1 in methanol
optical purity
ee: 97% (GLC)
autoignition temp.
772 °F
expl. lim.
21 %
bp
114 °C (lit.)
density
1.180 g/mL at 20 °C (lit.)
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Carc. 1B - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - Skin Sens. 1
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
89.6 °F - closed cup
flash_point_c
32 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 16(10), 5720-5732 (2008-04-15)
The risk of the presence of haloacetic acids in drinking water as chlorination by-products and the shortage of experimental mutagenicity data for most of them requires a research work. This paper describes a QSAR model to predict direct mutagenicity for
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