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Merck
CN

361577

(R)-(−)-Epichlorohydrin

99%

Synonym(s):

(R)-(−)-2-(Chloromethyl)oxirane

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About This Item

Empirical Formula (Hill Notation):
C3H5ClO
CAS Number:
51594-55-9
Molecular Weight:
92.52
EC Number:
424-280-2
UNSPSC Code:
12352103
PubChem Substance ID:
329755303
Beilstein/REAXYS Number:
1420785
MDL number:
MFCD00077759

Key Documents

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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

Storage Class

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
17416KO
16314PR
15326BS
11729HF
11421TX

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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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