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1-Butyl-1H-benzimidazole

1-Butyl-1H-benzimidazole structure

CAS No:
4886-30-0
Formula:
C11H14N2
Chemical Name:
1-Butyl-1H-benzimidazole
Synonyms:
1H-Benzimidazole,1-butyl-;Benzimidazole,1-butyl-;1-Butyl-1H-benzimidazole;1-Butylbenzimidazole;N-Butylbenzimidazole;1-Butylbenzoimidazole;1-Butyl-1H-1,3-benzodiazole
Categories:
Organic Chemistry > Coordination Complexes

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1-Butyl-1H-benzimidazole Basic Attributes

Molecular Weight：

174.242

Exact Mass：

174.24

DSSTox ID：

DTXSID70328460

HScode：

2933990090

Characteristics

PSA：

17.82000

XLogP3：

3.04

Density：

1.0±0.1 g/cm3

Melting Point：

171-173 °C

Boiling Point：

171-173 °C @ Press: 5 Torr

Flash Point：

133.4±22.6 °C

Refractive Index：

1.571

Safety Information

Precautionary statement(s)：

P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:174.24
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:174.115698455
Monoisotopic Mass:174.115698455
Topological Polar Surface Area:17.8
Heavy Atom Count:13
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes