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1079-02-3

1079-02-3 Structure

1079-02-3 Structure
IdentificationBack Directory
[Name]

BENZOIC ACID-D5
[CAS]

1079-02-3
[Synonyms]

E 210-d5
NSC 149-d5
Purox B-d5
Retardex-d5
Tenn-Plas-d5
VevoVitall-d5
Retarder BA-d5
Salvo Liquid-d5
Solvo Powder-d5
BENZOIC ACID-D5
BENZOIC-D5 ACID
Dracylic Acid-d5
(2H5)benzoic acid
MENNO-Florades-d5
Carboxybenzene-d5
PhenylforMic Acid-d5
BenzeneforMic Acid-d5
BENZOIC ACID (RING-D5)
Deuterated benzoic acid
Phenylcarboxylic Acid-d5
BenzeneMethanoic Acid-d5
Benzenecarboxylic Acid-d5
benzoic acid-2,3,4,5,6-d5
benzoic-d5acid (phenyl-d5)
(2,3,4,5,6-2H5)Benzoic acid
BENZOIC-D5 ACID, 99 ATOM % D
Benzoic-d5 acid,for NMR,99+ atom % D
Benzoic-d5 acid, 99+ atom % D, for NMR
Benzoic acid-2,3,4,5,6-d5,Benzoic-d5 acid (phenyl-d5)
[EINECS(EC#)]

214-089-0
[Molecular Formula]

C7HD5O2
[MDL Number]

MFCD00002400
[MOL File]

1079-02-3.mol
[Molecular Weight]

127.15
Chemical PropertiesBack Directory
[Appearance]

white to light beige fine crystalline powder
[Melting point ]

121-125 °C(lit.)
[Boiling point ]

249 °C(lit.)
[storage temp. ]

Refrigerator
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
[InChIKey]

WPYMKLBDIGXBTP-RALIUCGRSA-N
[SMILES]

C(C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])(=O)O
[CAS Number Unlabeled]

65-85-0
Hazard InformationBack Directory
[Chemical Properties]

white to light beige fine crystalline powder
[Uses]

Labeled Benzoic Acid, intended for use as an internal standard for the quantification of Benzoic Acid by GC- or LC-mass spectrometry.
[Synthesis]

To deuterated acetic acid as a deuterated reagent, dichloro (pentamethylcyclopentadienyl) iridium (III) dimer as a catalyst, in the mixed solvent of n-propanol and heavy water at 30 ℃ deuterated reaction to generate deuterated benzoic acid. For example

Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41-42/43
[Safety Statements ]

22-26-36
[WGK Germany ]

3
[Autoignition Temperature]

1061 °F
[HS Code ]

28459010
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT RE 1 Inhalation
Spectrum DetailBack Directory
[Spectrum Detail]

BENZOIC ACID-D5(1079-02-3)1HNMR
BENZOIC ACID-D5(1079-02-3)Raman
BENZOIC ACID-D5(1079-02-3)FT-IR
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