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6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE

6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE structure

CAS No:
1998-63-6
Formula:
C6H2ClF3N4
Chemical Name:
6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE
Synonyms:
IFLAB-BB F2124-0879;6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE;6-Chloro-2-trifluoromethyl-7H-purine;6-Chloro-2-(trifluoromethyl)purine

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6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE Basic Attributes

Molecular Weight：

222.56

Exact Mass：

221.99200

NSC Number：

46027

DSSTox ID：

DTXSID00421812

HScode：

2933990090

Characteristics

PSA：

54.5

XLogP3：

2.02510

Density：

1.94g/cm3

Boiling Point：

204.3ºC at 760 mmHg

Flash Point：

77.4ºC

Refractive Index：

1.656

Vapor Pressure：

0.379mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, 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:222.55
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:221.9920083
Monoisotopic Mass:221.9920083
Topological Polar Surface Area:54.5
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoricoxib; propylamine; caprylic acid; cyclohexanol; ccl4 compound name; 2 bromobutane

Guide of 6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-CHLORO-2-(TRIFLUOROMETHYL)-9H-PURINE

SDS

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