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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13505556Generated: October 23, 2026

5-(Hydroxymethyl)-1H-benzimidazole

(1H-benzo[d]imidazol-5-yl)methanol · 1H-Benzimidazole-6-methanol · 3H-benzimidazol-5-ylmethanol · 1H-BENZIMIDAZOL-5-YLMETHANOL · 1H-Benzimidazole-5-methanol(9CI) · 5-(Hydroxymethyl)-1H-benzimidazole · 5-(HYDROXYMETHYL)-1H-BENZIMIDAZOLE 97 · 5-(Hydroxymethyl)-1H-benzimidazole 97%

https://huagongshe.com/en/chemical/13505556

5-(Hydroxymethyl)-1H-benzimidazole molecular structure

Identifiers & Physical Properties

CAS No.106429-29-2
Molecular formulaC8H8N2O
Average molar mass148.16 g/mol
Monoisotopic mass148.06366288 g/mol
SMILESOCc1ccc2nc[nH]c2c1
InChIKeyITPDIGZAMXKBCF-UHFFFAOYSA-N
PubChem CID13505556
ChEBICHEBI:194814
EC No.640-744-9
DTXSIDDTXSID00542495

Chemical & Physical Properties

XLogP0.4
Topological polar surface area48.9
Hydrogen bond donors2
Hydrogen bond acceptors2
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity140
Melting point128.5-131
Boiling point469.5±20.0 °C(Predicted)
Density1.360±0.06 g/cm3(Predicted)
Storage conditions2-8°C, protect from light
pKa (acidity coefficient)12.48±0.10(Predicted)
Physical statesolid
AppearanceLight brown to brown Solid
InChI1S/C8H8N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
InChIKeyITPDIGZAMXKBCF-UHFFFAOYSA-N
SMILESOCc1ccc2[nH]cnc2c1
UNSPSC Code12352200
NACRESNA.21
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H312-H315-H319-H332-H335
GHS precautionary statementsP261-P280-P305+P351+P338
Target organsRespiratory system
Hazard symbolsXn,Xi
Risk statements (R)20/21/22-36/37/38-41-37/38
Safety statements (S)22-26-36/37/39-39
Water hazard class (WGK)WGK 3
Hazard NoteHarmful
Customs code2933998090
Storage class11 - Combustible Solids
Hazard classEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & Regulations

GHS classificationDangerH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Water hazard class (WGK)WGK 3
Customs code2933998090
Risk statements (R)20/21/22-36/37/38-41-37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXn,Xi
hazard_noteHarmful
Safety statements (S)22-26-36/37/39-39
Storage class11 - Combustible Solids
Target organsRespiratory system
GHS hazard statementsH302-H312-H315-H319-H332-H335
Hazard classEye Dam. 1Skin Irrit. 2STOT SE 3
GHS precautionary statementsP261-P280-P305+P351+P338