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METHYL 4-METHYL-4-NITROPENTANOATE

METHYL 4-METHYL-4-NITROPENTANOATE structure

CAS No:
16507-02-1
Formula:
C7H13NO4
Chemical Name:
METHYL 4-METHYL-4-NITROPENTANOATE
Synonyms:
4-NITRO-4-METHYLPENTANOIC ACID METHYL ESTER;METHYL 4-METHYL-4-NITROPENTANOATE;4-Methyl-4-nitropentanoic acid methyl ester;pentanoic acid, 4-methyl-4-nitro-, methyl ester;Methyl 4-nitro-4-valerate;Nsc63913;Valeric acid, 4-methyl-4-nitro-, methyl ester;Methyl 4-methyl-4-nitropentanoate ,98%

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METHYL 4-METHYL-4-NITROPENTANOATE Basic Attributes

Molecular Weight：

175.18

Exact Mass：

175.08400

NSC Number：

63913

DSSTox ID：

DTXSID30289780

HScode：

2915900090

Characteristics

PSA：

72.12000

XLogP3：

1.51810

Density：

1.114 g/mL at 25 °C(lit.)

Boiling Point：

79 °C1 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.441(lit.)

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:175.18
XLogP3:0.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:175.08445790
Monoisotopic Mass:175.08445790
Topological Polar Surface Area:72.1
Heavy Atom Count:12
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL 4-METHYL-4-NITROPENTANOATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

METHYL 4-METHYL-4-NITROPENTANOATE

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