N-Heptane
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N-Heptane
structure -
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CAS No:
142-82-5
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Formula:
C7H16
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Chemical Name:
N-Heptane
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Synonyms:
Heptane;Dipropylmethane;Heptyl hydride;n-Heptane;Skellysolve C;NSC 62784;8031-33-2;44607-13-8
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CAS No:
Characteristics
0
4.4
≤10(APHA) Liquid
0.68 g/cm3
-91 °C
98 °C
30 °F
1.385-1.389
Practically insoluble in water;acetone: miscible(lit.)
2-8°C
40 mm Hg ( 20 °C)
3.5 (vs air)
Inhalation-mouse LC50: 75000 mg/m3/ 2 hours; intravenous-mouse LD50: 222 mg/kg
Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke
1-7%(V)
Gasoline-like odor
Safety Information
II
3
UN 1206 3/PG 2
3
11-38-50/53-65-67
9-16-29-33-60-61-62-23
MI7700000
F,Xn,N
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
Explosive when mixed with air
Stable. Incompatible with oxidizing agents, chlorine, phosphorus. Highly flammable. Readily forms explosive mixtures with air.
P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501
H225
N-Heptane Use and Manufacturing
Hydrocarbon fraction of petroleum. May contain n-heptane, dimethylcyclopentane, 3-ethylpentane, methylcyclohexane and 3-methylcyclohexane.
As standard in testing knock of gasoline engines.
Computed Properties
Molecular Weight:100.20
XLogP3:4.4
Rotatable Bond Count:4
Exact Mass:100.125200510
Monoisotopic Mass:100.125200510
Heavy Atom Count:7
Complexity:19.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
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