(1H-Benzimidazol-6-yl)methanol

HCID 13505556CAS 106429-29-2

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Basic information

Standard SMILES: OCc1ccc2nc[nH]c2c1
InChIKey: ITPDIGZAMXKBCF-UHFFFAOYSA-N
Molecular formula: C8H8N2O
Average molar mass: 148.165 g/mol
Monoisotopic mass: 148.06366288

Names & identifiers

Preferred name: (1H-Benzimidazol-6-yl)methanol
IUPAC: (1H-Benzimidazol-6-yl)methanol
English name: 1H-Benzimidazol-5-ylmethanol
Molecular formula: C8H8N2O
Molecular weight: 148.16

Names & synonyms

(1H-benzo[d]imidazol-5-yl)methanol1H-Benzimidazole-6-methanol3H-benzimidazol-5-ylmethanol1H-BENZIMIDAZOL-5-YLMETHANOL1H-Benzimidazole-5-methanol(9CI)5-(Hydroxymethyl)-1H-benzimidazole5-(HYDROXYMETHYL)-1H-BENZIMIDAZOLE 975-(Hydroxymethyl)-1H-benzimidazole 97%

Database identifiers

CAS: 106429-29-2
PubChem CID: 13505556
DTXSID: DTXSID00542495
ChEBI: CHEBI:194814
EC Number: 640-744-9

Properties

Physicochemical properties

Melting point: 128.5 · 128.5-131
Boiling point: 469.5 · 469.5±20.0 °C(Predicted)
Density: 1.36 · 1.360±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 12.48 · 12.48±0.10(Predicted)
form: solid
Appearance: Light brown to brown Solid
InChI: 1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
InChIKey: ITPDIGZAMXKBCF-UHFFFAOYSA-N
SMILES: OCc1ccc2[nH]cnc2c1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38-41-37/38
Safety Statements: 22 · 22-26-36/37/39-39
WGK Germany: 3 · WGK 3
Hazard Note: Harmful
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

wgk: WGK 3
hs_code: 2933998090
risk_code: 20/21/22-36/37/38-41-37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 22-26-36/37/39-39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H312-H315-H319-H332-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1H-Benzimidazole, 5-(chloromethyl)- (9CI)1H-Benzimidazole-5-carboxylic acid 1H-Benzimidazole-5-aceticacid(9CI)1H-Benzimidazole-5-carboxylicacid,ethylester(9CI)Potassium sodium tartrate Ethyl acetate

Suppliers50 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Additional notes

DefinitionChEBI: 1H-benzimidazol-5-ylmethanol is a member of benzimidazoles.

Related reactions

8 records

New reaction record

HRID 16140 reaction equation

HRID 16140As reactantuspto-grants-2010_06

HRID 120250 reaction equation

HRID 120250As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 397489 reaction equation

HRID 397489As productuspto-grants-2003_08

HRID 397490 reaction equation

HRID 397490As reactantuspto-grants-2003_08

HRID 398349 reaction equation

HRID 398349As productuspto-grants-2003_08

HRID 398350 reaction equation

HRID 398350As reactantuspto-grants-2003_08

HRID 465039 reaction equation

HRID 465039As productuspto-grants-1985_10

HRID 1127394 reaction equation

HRID 1127394As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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