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2-(TRICHLOROACETYL)PYRROLE

2-(TRICHLOROACETYL)PYRROLE structure

CAS No:
35302-72-8
Formula:
C6H4Cl3NO
Chemical Name:
2-(TRICHLOROACETYL)PYRROLE
Synonyms:
LABOTEST-BB LT00452244;2-(TRICHLOROACETYL)PYRROLE;2-PYRROLYL TRICHLOROMETHYL KETONE;2,2,2-TRICHLORO-1-(1H-PYRROL-2-YL)ETHAN-1-ONE;2,2,2-TRICHLORO-1-(1H-PYRROL-2-YL)ETHANONE;2-(Trichloroacetyl)-1H-pyrrole;NSC 272669;trichloroacetyl)pyrrole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-(TRICHLOROACETYL)PYRROLE Basic Attributes

Molecular Weight：

212.46

Exact Mass：

210.935847 g/mol

EC Number：

671-031-0

NSC Number：

272669

DSSTox ID：

DTXSID70313578

HScode：

2933990090

Characteristics

PSA：

32.86000

XLogP3：

2.56760

Density：

1.591

Melting Point：

72-74 °C (lit.)

Boiling Point：

285℃

Flash Point：

126.4ºC

Refractive Index：

1.592

PKA：

14.18±0.50

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN 1759 8/PG III

wgk germany：

hazard class code：

36/37/38-36/37//38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Danger|H314 (14.89%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:212.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:210.935847
Monoisotopic Mass:210.935847
Topological Polar Surface Area:32.9
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-(Trichloroacetyl)pyrrole

CAS No.: 35302-72-8

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Guide of 2-(TRICHLOROACETYL)PYRROLE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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