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4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE

4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE structure

CAS No:
182198-35-2
Formula:
C12H7ClN2S
Chemical Name:
4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE
Synonyms:
4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE;AKOS 90534;AKOS NCG-0083;AKOS BBS-00006350;BUTTPARK 30\08-39;THIENO[2,3-D]PYRIMIDINE, 4-CHLORO-5-PHENYL-;OTAVA-BB BB7012780011
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE Basic Attributes

Molecular Weight：

246.72

Exact Mass：

246.00200

DSSTox ID：

DTXSID40351765

HScode：

2934999090

Characteristics

PSA：

XLogP3：

4.01170

Density：

1.396±0.06 g/cm3(Predicted)

Melting Point：

130°C

Boiling Point：

418.9±45.0 °C(Predicted)

Refractive Index：

1.698

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .

safety instructions：

S28-S36/37-S37/39-S26

Marks：

Xn,Xi

GHS Classification：

|Warning|H302 (20%): 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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:246.72
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:246.0018471
Monoisotopic Mass:246.0018471
Topological Polar Surface Area:54
Heavy Atom Count:16
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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4-CHLORO-5-PHENYLTHIENO[2,3-D]PYRIMIDINE

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