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BENZOICACID-ALPHA-13C

BENZOICACID-ALPHA-13C structure

CAS No:
3880-99-7
Formula:
C7H6O2
Chemical Name:
BENZOICACID-ALPHA-13C
Synonyms:
benzoicacid-α-13c;BENZOICACID-ALPHA-13C;benzoicacid-carboxy-13c;13CLabeledbenzoicacid;BENZOIC-CARBOXY-13CACID;BENZOICACID-CARBOXY-13C1;BENZOICACID(CARBOXYL-13C);Benzene(13C)carboxylicacid;benzoicacid,carboxy-C13labelled;Benzoicacid-alpha-13C(99atom%13C)
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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BENZOICACID-ALPHA-13C Basic Attributes

Molecular Weight：

123.13

Exact Mass：

123.04000

DSSTox ID：

DTXSID80274646

Characteristics

PSA：

37.30000

XLogP3：

1.38480

Density：

1.197g/cm3

Melting Point：

121-125 °C(lit.)

Boiling Point：

249 °C(lit.)

Refractive Index：

1.564

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41-42/43

safety instructions：

22-26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H315-H317-H318-H334-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+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:123.11
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:123.040134265
Monoisotopic Mass:123.040134265
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:104
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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BENZOIC ACID-ALPHA-13C

CAS No.: 3880-99-7

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