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METHYLBENZOATE-CARBONYL-13C

METHYLBENZOATE-CARBONYL-13C structure

CAS No:
36712-21-7
Formula:
C8H8O2
Chemical Name:
METHYLBENZOATE-CARBONYL-13C
Synonyms:
METHYL BENZOATE-CARBONYL-13C;METHYL BENZOATE-CARBONYL-13C, 99 ATOM % 13C;methyl benzoate-α-13c

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METHYLBENZOATE-CARBONYL-13C Basic Attributes

Molecular Weight：

137.16

Exact Mass：

137.055784329

DSSTox ID：

DTXSID50480757

Characteristics

Density：

1.102 g/mL at 25 °C

Melting Point：

−12 °C(lit.)

Boiling Point：

198-199 °C(lit.)

Refractive Index：

n20/D 1.517(lit.)

Safety Information

Transport codes：

UN 1993 / PGIII

wgk germany：

hazard class code：

20/21/22-36/37/38-42/43

safety instructions：

26-27-36/37/39-45

Marks：

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, 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:137.14
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:137.055784329
Monoisotopic Mass:137.055784329
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:114
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYLBENZOATE-CARBONYL-13C

Basic Attributes
Characteristics
Safety Information
Computed Properties

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