ChemicalBook--->CAS DataBase List--->615-16-7

615-16-7

615-16-7 Structure

615-16-7 Structure
IdentificationMore
[Name]

2-Hydroxybenzimidazole
[CAS]

615-16-7
[Synonyms]

1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE
1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
1H-BENZIMIDAZOL-2-OL
2(1H)-BENZIMIDAZOLONE
2(3H)-BENZIMIDAZOLONE
2-BENZIMIDAZOLINONE
2-BENZIMIDAZOLOL
2-BENZIMIDAZOLONE
2-HYDROXYBENZIMIDAZOLE
AKOS B029741
AKOS BBS-00004602
AURORA KA-3363
o-phenylene urea
RARECHEM AQ NN 0099
TIMTEC-BB SBB000067
TIMTEC-BB SBB004209
1,3-dihydro-2h-benzimidazol-2-on
2(3H)-Oxobenzimidazole
2-alpha-Hydroxybenzimidazole
2h-benzimidazol
[EINECS(EC#)]

210-412-4
[Molecular Formula]

C7H6N2O
[MDL Number]

MFCD00127894
[Molecular Weight]

134.14
[MOL File]

615-16-7.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to pale brown crystalline powder
[Melting point ]

>300 °C (lit.)
[Boiling point ]

247.23°C (rough estimate)
[density ]

1.2296 (rough estimate)
[refractive index ]

1.5880 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

0.543g/l
[form ]

Crystalline Powder
[pka]

11.95±0.10(Predicted)
[color ]

Off-white to pale brown
[Water Solubility ]

insoluble
[Usage]

A metabolite of the neuroleptic Droperidol.
[Detection Methods]

HPLC,NMR
[BRN ]

119866
[InChI]

1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
[InChIKey]

SILNNFMWIMZVEQ-UHFFFAOYSA-N
[SMILES]

O=C1Nc2ccccc2N1
[LogP]

1.17 at 23℃ and pH6.2-6.4
[CAS DataBase Reference]

615-16-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-Benzimidazol-2-one, 1,3-dihydro-(615-16-7)
[EPA Substance Registry System]

615-16-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

1
[RTECS ]

DE1625000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29339990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Toxicity]

LD50 scu-mus: 620 mg/kg ARZNAD 8,42,58
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Hydroxybenzimidazole(615-16-7).msds
Hazard InformationBack Directory
[Chemical Properties]

off-white to pale brown crystalline powder
[Uses]

A metabolite of the neuroleptic Droperidol (D679500).
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 33, p. 2543, 1968 DOI: 10.1021/jo01270a093
Synthesis, p. 322, 1991 DOI: 10.1055/s-1991-26457
Tetrahedron Letters, 22, p. 2431, 1981 DOI: 10.1016/S0040-4039(01)92925-9
[Safety Profile]

Moderately toxic by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Hydroxybenzimidazole(615-16-7)MS
2-Hydroxybenzimidazole(615-16-7)1HNMR
2-Hydroxybenzimidazole(615-16-7)13CNMR
2-Hydroxybenzimidazole(615-16-7)IR1
2-Hydroxybenzimidazole(615-16-7)IR2
2-Hydroxybenzimidazole(615-16-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Hydroxybenzimidazole, 97%(615-16-7)
[Alfa Aesar]

2-Hydroxybenzimidazole, 98%(615-16-7)
[Sigma Aldrich]

615-16-7(sigmaaldrich)
[TCI AMERICA]

2-Hydroxybenzimidazole,>98.0%(T)(615-16-7)
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