Basic information
- CAS
2245-38-7- Standard SMILES
Cc1cc2cccc(C)c2cc1C- InChIKey
JBXULKRNHAQMAS-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Overview
1,6,7-Trimethylnaphthalene is a member of naphthalenes.
Names & identifiers
- Preferred name
- 1,6,7-Trimethylnaphthalene
- IUPAC
- 1,6,7-trimethylnaphthalene
- English name
- 2,3,5-Trimethylnaphthalene
- Molecular formula
- C13H14
- Molecular weight
- 0
Names & synonyms
1,6,7-TRIMETHYLNAPHTHALENE2245-38-72,3,5-TrimethylnaphthaleneUNII-4WC055TBJ94WC055TBJ9EINECS 218-833-5NSC 89511NSC-89511AI3-28792DTXSID7062291RefChem:73564DTXCID1036703
Show more names
Naphthalene, 1,6,7-trimethyl-(8CI)Naphthalene, 1,6,7-trimethyl-(8CI)(9CI)218-833-5JBXULKRNHAQMAS-UHFFFAOYSA-NNaphthalene, 1,6,7-trimethyl-Naphthalene, 2,3,5-trimethyl-MFCD00044834NSC89511
Database identifiers
- CAS
2245-38-7- PubChem CID
- 16732
- DTXSID
DTXSID7062291- ChEBI
CHEBI:89809- UNII
- 4WC055TBJ9
- EC Number
- 218-833-5
- Nikkaji
- J102.297K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.73
Physical DescriptionSolid
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 7.1% (3 of 42) of reports.
Warning
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.9%)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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