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Heptylbenzene

Heptylbenzene structure

CAS No:
1078-71-3
Formula:
C13H20
Chemical Name:
Heptylbenzene
Synonyms:
Benzene,heptyl-;Heptane,1-phenyl-;Heptylbenzene;n-Heptylbenzene;Heptane,1(or 7)-phenyl-;1-Phenylheptane;1-Heptylbenzene;NSC 97413
Categories:
Chemical Reagents > Organic Reagents

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Description

colourless liquid

1-Phenylheptane is a member of benzenes.

Heptylbenzene Basic Attributes

Molecular Weight：

176.3

Exact Mass：

176.30

BRN：

1905782

EC Number：

214-084-3

UNII：

12UC21C7SN

NSC Number：

97413

DSSTox ID：

DTXSID3061477

HScode：

29029090

Characteristics

PSA：

XLogP3：

5.87

Appearance：

colourless liquid

Density：

0.8570 g/cm³ @ Temp: 20 °C

Melting Point：

-48 °C

Boiling Point：

240 °C

Flash Point：

203 °F

Refractive Index：

n 20/D 1.485(lit.)

Water Solubility：

2.54e-06 M

Vapor Pressure：

0.03 mmHg

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

50/53

safety instructions：

23-24/25-61-60

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents. Combustible.

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory.

Heptylbenzene Use and Manufacturing

Uses

Used as liquid crystal intermediate

Manufacturing Info：

Benzene, heptyl-: ACTIVE

Computed Properties

Molecular Weight:176.30
XLogP3:6.1
Rotatable Bond Count:6
Exact Mass:176.156500638
Monoisotopic Mass:176.156500638
Heavy Atom Count:13
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1078-71-3

Grade: Pharmaceutical Grade

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Henan Aochuang Chemical Co., Ltd. Contact Supplier

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