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1-BROMO-4-PENTYNE

1-BROMO-4-PENTYNE structure

CAS No:
28077-72-7
Formula:
C5H7Br
Chemical Name:
1-BROMO-4-PENTYNE
Synonyms:
4-PENTYNYL BROMIDE;1-BROMO-4-PENTYNE;5-Bromo-1-pentyne;5-Bromopentyne;5-broMopent-1-yne;1-Pentyne, 5-broMo-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Pale Yellow Oil

1-BROMO-4-PENTYNE Basic Attributes

Molecular Weight：

147.01

Exact Mass：

145.973

DSSTox ID：

DTXSID70477846

HScode：

2903399090

Characteristics

PSA：

XLogP3：

1.9

Density：

1.361±0.06 g/cm3(Predicted)

Safety Information

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, 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:147.01
XLogP3:1.9
Rotatable Bond Count:2
Exact Mass:145.97311
Monoisotopic Mass:145.97311
Heavy Atom Count:6
Complexity:57.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes