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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure

CAS No:
24391-41-1
Formula:
C7H3ClN4
Chemical Name:
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Synonyms:
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;7H-Pyrrolo[2,3-d]pyriMidine-5-carbonitrile,4-chloro-;4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitrile

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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile Basic Attributes

Molecular Weight：

178.58

Exact Mass：

178.0046238

EC Number：

200-258-5

DSSTox ID：

DTXSID90626071

Characteristics

Density：

1?+-.0.1 g/cm3

Boiling Point：

235.3±50.0 °C(Predicted)

PKA：

8.84±0.20

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:178.58
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:178.0046238
Monoisotopic Mass:178.0046238
Topological Polar Surface Area:65.4
Heavy Atom Count:12
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2-bromo-2-methylbutane; capric triglyceride; 1-pentanol; 1 propanol; beh2 lewis structure; alpha pinene

Guide of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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