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Basic information
- CAS
614-97-1- Standard SMILES
Cc1ccc2nc[nH]c2c1- InChIKey
RWXZXCZBMQPOBF-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.166 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 5-Methylbenzimidazole
- IUPAC
- 5-Methyl-1H-benzimidazole
- English name
- 5-Methylbenzimidazole
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
5-Methyl-1H-benzo[d]iMidazole6-methyl-1H-benzo[d]imidazole5-methyl-benzimidazol5-METHYLBENZIMIDAZOLE5-METHYLBENZOIMIDAZOLE5-methyl-1h-benzimidazol5-Methylbenzimidazole>5-METHYL-1H-BENZIMIDAZOLE5-Methylbenzimidazole,98%6-Methyl-1H-benzimidazole
Database identifiers
- CAS
614-97-1- PubChem CID
- 11979
- DTXSID
DTXSID1060639- ChEMBL
CHEMBL157729- ChEBI
CHEBI:40205- UNII
- R56855UC8Y
- EC Number
- 210-401-4
- Nikkaji
- J41.308I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
Boiling Point169-172 °C at 1.00E+00 mm Hg
Melting Point114-117 °C
Physicochemical properties
- Melting point
- 114 · 114-117 °C (lit.)
- Boiling point
- 169 · 169-172 °C/1 mmHg (lit.)
- Density
- 1.1083 · 1.1083 (rough estimate)
- refractive index
- 1.6013 · 1.6013 (estimate)
- Flash point
- 169 · 169-172°C/1mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in chloroform (25mg/ml).
- form
- powder to crystaline
- pka
- 13.15 · 13.15±0.30(Predicted)
- color
- Light yellow to Brown to Dark green
- BRN
- 2628 · 2628
- InChI
- 1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
- InChIKey
- RWXZXCZBMQPOBF-UHFFFAOYSA-N
- SMILES
- Cc1ccc2[nH]cnc2c1
- CAS DataBase Reference
- 614 · 614-97-1(CAS DataBase Reference)
- FDA UNII
- 56855 UC8Y · R56855UC8Y
- NIST Chemistry Reference
- 5 · 5-Methylbenzimidazole(614-97-1)
- EPA Substance Registry System
- 1 H-Benzimidazole, · 1H-Benzimidazole, 5-methyl- (614-97-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-20/21/22-36/37/38
- Safety Statements
- 22 · 22-24/25-36-37-26
- WGK Germany
- 3 · 3
- RTECS
- 9275000 · DD9275000
- TSCA
- TSCA listed
- HS Code
- 29332900 · 29332900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 82.2% (37 of 45) of all reports.
Warning
H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 37 of 45 reports by companies.；There are 3 notifications provided by 8 of 45 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)；Eye Irrit. 2A (11.1%)；STOT SE 3 (11.1%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DD9275000
- hs_code
- 29332900
- risk_code
- 22-20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36-37-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312+P330-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Benzimidazole, 6-methyl-: ACTIVE
Applications
Uses5-Methylbenzimidazole is used as a camphor substitute. It is also used as fine chemical and medicine intermediate.
General DescriptionThe FT-IR and FT-Raman spectra of 5-methylbenzimidazole was investigated by density functional theory.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
陕西麟邦实业有限公司17709134430 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
常州市新开化工有限公司15051102731
湖南华腾制药有限公司400-8592883 15367835770 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
苏州塔澄生物医药科技有限公司0512-68253519 18260240186 · [email protected]
Additional notes
DefinitionChEBI: 5-methyl-1H-benzimidazole is a member of the class of imidazoles that is 1H-benzimidazole in which the hydrogen at position 5 is substituted by a methyl group. It derives from a hydride of a 1H-benzimidazole.
Related reactions
8 records
Compound notes
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