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2,2,3-Trichloro-1,1-butanediol

2,2,3-Trichloro-1,1-butanediol structure

CAS No:
76-40-4
Formula:
C4H7Cl3O2
Chemical Name:
2,2,3-Trichloro-1,1-butanediol
Synonyms:
1,1-Butanediol,2,2,3-trichloro-;2,2,3-Trichloro-1,1-butanediol;Butylchloral hydrate;2,2,3-Trichlorobutane-1,1-diol

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2,2,3-Trichloro-1,1-butanediol Basic Attributes

Molecular Weight：

193.448

Exact Mass：

193.46

EC Number：

200-958-1

Characteristics

PSA：

40.5

XLogP3：

1.09830

Density：

1.553g/cm3

Boiling Point：

279ºC at 760 mmHg

Flash Point：

122.5ºC

Refractive Index：

1.523

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 3249

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:193.45
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:191.951163
Monoisotopic Mass:191.951163
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:93.8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2,3-Trichloro-1,1-butanediol

Basic Attributes
Characteristics
Safety Information
Computed Properties

2,2,3-Trichloro-1,1-butanediol

SDS

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