Basic information
- CAS
3441-00-7- Standard SMILES
Cc1cccc(-c2nn[nH]n2)c1- InChIKey
GWZNHKMUSLKULV-UHFFFAOYSA-N- Molecular formula
- C8H8N4
- Average molar mass
- 160.18 g/mol
- Monoisotopic mass
- 160.07489627
Names & identifiers
- Preferred name
- 5-(m-Tolyl)-1H-tetrazole
- IUPAC
- 5-(3-methylphenyl)-2H-tetrazole
- English name
- 5-(3-Methylphenyl)-1H-tetrazole
- Molecular formula
- C8H8N4
- Molecular weight
- 160.18
Names & synonyms
5-(m-Tolyl)-1H-tetrazole3441-00-75-(3-methylphenyl)-1h-tetrazole5-(m-Tolyl)tetrazole5-(3-methylphenyl)-2H-tetrazoleMFCD030930965-(3-METHYLPHENYL)-1H-1,2,3,4-TETRAZOLE5-(3-methylphenyl)tetrazole3-tolyl tetrazole5-(m-tolyl)-2H-tetrazole5-(m-Tolyl)(1H)tetrazoleSCHEMBL12367
Show more names
5-m-tolyl-2H-tetrazole2H-Tetrazole, 5-(3-methylphenyl)-
SCHEMBL5132325-(3-METHYLPHENYL)-2H-1,2,3,4-TETRAZOLEorb3144536SCHEMBL1196049SCHEMBL1545888SCHEMBL9872227CHEMBL16502725-(3'-methylphenyl)-1h-tetrazole
Database identifiers
- CAS
3441-00-7- PubChem CID
- 583308
- ChEMBL
CHEMBL1650272- EC Number
- 681-981-8
- Nikkaji
- J2.682.445A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 143 · 143-146°C
- Boiling point
- 350.3 · 350.3±35.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- Flash point
- 168.8 ° · 168.8°
- storage temp.
- 2 · 2-8°C
- pka
- 4.39 · 4.39±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 131205 · 131205
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers32 total
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]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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