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Acetonitrile, difluoro-

Acetonitrile, difluoro- structure

CAS No:
359-12-6
Formula:
C2HF2N
Chemical Name:
Acetonitrile, difluoro-
Synonyms:
Acetonitrile,difluoro-;Difluoroacetonitrile;2,2-Difluoroacetonitrile;1800084-92-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Acetonitrile, difluoro- Basic Attributes

Molecular Weight：

77.03280

Exact Mass：

77.03

DSSTox ID：

DTXSID30189458

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

0.77508

Density：

1.1130 g/cm³ @ Temp: 14.5 °C

Melting Point：

0ºC

Boiling Point：

22.8-23.4 °C

Refractive Index：

1.277

Safety Information

Marks：

Xi: Irritant;

Precautionary statement(s)：

P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:77.03
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Exact Mass:77.00770536
Monoisotopic Mass:77.00770536
Topological Polar Surface Area:23.8
Heavy Atom Count:5
Complexity:59.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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