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N-HEPTANE-D16

N-HEPTANE-D16 structure

CAS No:
33838-52-7
Formula:
C7D16
Chemical Name:
N-HEPTANE-D16
Synonyms:
N-HEPTANE-D16;HEPTANE-D16;hexadecadeutero-heptane;HEPTANE-D16, 99 ATOM % D;N-HEPTANE-D1, 98% (ISOTOPIC);n-Heptane-d,98%(Isotopic);n-Heptane-D16 >99.0 Atom % D;n-Heptane-d16, 98%(Isotopic)
Categories:
Chemical Reagents > Deuterated Reagents

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Description

colourless liquid with a gasoline-like smell

N-HEPTANE-D16 Basic Attributes

Molecular Weight：

116.3

Exact Mass：

116.225632

BRN：

1730763

EC Number：

205-563-8

DSSTox ID：

DTXSID40335328

HScode：

28459000

Characteristics

PSA：

XLogP3：

4.47

Appearance：

Liquid

Density：

0.7±0.1 g/cm3

Melting Point：

-91 °C(lit.)

Boiling Point：

98 °C(lit.)

Flash Point：

30 °F

Refractive Index：

1.394

Water Solubility：

Difficult to mix.

Storage Conditions：

Flammables area

Vapor Pressure：

40 mm Hg ( 20 °C)

Vapor Density：

3.5 (vs air)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN1206

wgk germany：

hazard class code：

11-67-65-50/53-38

safety instructions：

9-16-23-29-33-62-61-60

RTECS Number：

MI7700000

Marks：

Stability/Shelf Life：

Stable. Incompatible with oxidizing agents. Highly flammable. Hygroscopic.

Precautionary statement(s)：

P210-P261-P273-P301 + P310-P331-P501

Hazard Statements：

H225-H304-H315-H336-H410

Computed Properties

Molecular Weight:116.30
XLogP3:4.4
Rotatable Bond Count:4
Exact Mass:116.225628446
Monoisotopic Mass:116.225628446
Heavy Atom Count:7
Complexity:19.2
Isotope Atom Count:16
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes