Basic information
- CAS
613-06-9- Standard SMILES
Cc1cc2cc3ccccc3cc2cc1C- InChIKey
OGVRJXPGSVLDRD-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 2,3-Dimethylanthracene
- IUPAC
- 2,3-dimethylanthracene
- English name
- 2,3-DIMETHYLANTHRACENE
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
2,3-Dimethylanthracene613-06-92,3-dimethylanthracenBD7YKJ97BNAnthracene, 2,3-dimethyl-EINECS 210-328-8DTXSID20210189RefChem:81849DTXCID70132680210-328-8MFCD00154982UNII-BD7YKJ97BN
Show more names
2,3-Dimethylanthracene>Anthracene, 2,3-dimethyl-2,3-Dimethylanthracene in toluene2,3-Dimethylanthracene in isooctane2,3-Dimethylanthracene@50 μg/mL in Toluene
AKOS005444454CS-0358950D2979SCHEMBL166421SCHEMBL1776822SCHEMBL5671112SCHEMBL29619527OGVRJXPGSVLDRD-UHFFFAOYSA-N
Database identifiers
- CAS
613-06-9- PubChem CID
- 69170
- DTXSID
DTXSID20210189- UNII
- BD7YKJ97BN
- EC Number
- 210-328-8
- Nikkaji
- J135.643G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Collision Cross Section144.4 Ų [M+H]+
Physicochemical properties
- Melting point
- 252 °C · 252 °C
- form
- powder to crystal
- color
- White to Almost white
- Henry's Law Constant
- 2.1 · 2.1×10-1 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- CAS DataBase Reference
- 613 · 613-06-9
- FDA UNII
- 7 YKJ97BN · BD7YKJ97BN
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 413 · H413-H315-H335-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2902.90.9000
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H413-H315-H335-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers37 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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