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2-Benzimidazolinone

2-Benzimidazolinone structure

CAS No:
615-16-7
Formula:
C7H6N2O
Chemical Name:
2-Benzimidazolinone
Synonyms:
2H-Benzimidazol-2-one,1,3-dihydro-;2-Benzimidazolinone;1,3-Dihydro-2H-benzimidazol-2-one;o-Phenyleneurea;Urea,N,N′-(1,2-phenylene)-;N,N′-(1,2-Phenyleneurea);1,3-Dihydro-2H-benzimidazole-2-one;2-Benzimidazolol;2-Hydroxybenzimidazole;2(3H)-Benzimidazolone;2-Benzimidazolone;2(3H)-Oxobenzimidazole;2,3-Dihydro-2-oxo-1H-benzimidazole;NSC 10383;NSC 178108;1,3-Dihydrobenzimidazol-2-one;1H-Benzimidazol-2(3H)-one;1H-Benzo[d]imidazol-2(3H)-one;1,3-Dihydro-2H-benzo[d]imidazol-2-one;1H-1,3-Benzodiazol-2-ol;1H-Benzoimidazol-2-ol;1,3-Dihydro-benzoimidazol-2-one;2,3-Dihydro-1H-1,3-benzodiazol-2-one;5400-74-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white to pale brown crystalline powder

2-Benzimidazolinone Basic Attributes

Molecular Weight：

134.14

Exact Mass：

134.14

EC Number：

210-412-4

UNII：

CV8118UZEW

NSC Number：

178108|10383

DSSTox ID：

DTXSID0060642

HScode：

2933990090

Characteristics

PSA：

41.1

XLogP3：

1.1

Appearance：

OFF-WHITE TO TAN POWDER

Density：

1.4±0.1 g/cm3

Melting Point：

>300 °C

Boiling Point：

185-190 °C @ Press: 0.01 Torr

Flash Point：

194.2±23.2 °C

Refractive Index：

1.760

Water Solubility：

insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Toxicity：

LD50 scu-mus: 620 mg/kg ARZNAD 8,42,58

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25-S37/39

RTECS Number：

DE1625000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.14%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 35 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-hydroxy benzimidazole

2-Benzimidazolinone Use and Manufacturing

Uses

A metabolite of the neuroleptic Droperidol (D679500).

Manufacturing Info：

2H-Benzimidazol-2-one, 1,3-dihydro-: ACTIVE

Computed Properties

Molecular Weight:134.14
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:134.048012819
Monoisotopic Mass:134.048012819
Topological Polar Surface Area:41.1
Heavy Atom Count:10
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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