Basic information
- CAS
607-42-1- Standard SMILES
O=C(O)c1cccc2cc3ccccc3cc12- InChIKey
CCFAKBRKTKVJPO-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Overview
1-anthroic acid is an anthroic acid.
Names & identifiers
- Preferred name
- 1-Anthracenecarboxylic Acid
- IUPAC
- anthracene-1-carboxylic acid
- English name
- 1-ANTHRACENECARBOXYLIC ACID
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
1-Anthracenecarboxylic acid607-42-1Anthracene-1-carboxylic acidDTXSID60209512RefChem:113055DTXCID10132003672-748-11-Anthroic acidMFCD00142583Anthracenecarboxylic acid1-Antheacenecarboxylic acidSCHEMBL123193
Show more names
1-anthroicaci1-Anthracenecarboxilic acid1-Anthracenecarboxylic Acid >
AC-27839Anthracene-1-carboxylicacid1-Anthracene Carboxylic AciA832868SCHEMBL26093SCHEMBL8584015CHEMBL2159006SCHEMBL29405887
Database identifiers
- CAS
607-42-1- PubChem CID
- 150789
- DTXSID
DTXSID60209512- ChEMBL
CHEMBL2159006- ChEBI
CHEBI:38994- EC Number
- 672-748-1
- Nikkaji
- J79.719G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 252 °C · 252 °C
- Boiling point
- 323.41 °C · 323.41°C (rough estimate)
- Density
- 1.1404 · 1.1404 (rough estimate)
- refractive index
- 1.743 · 1.7430 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly)
- pka
- 1 · pK1: 3.68 (25°C)
- form
- Solid
- color
- Light Yellow
- CAS DataBase Reference
- 607 · 607-42-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2916.31 · 2916.31.5000
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916.31.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [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]
吉林中科研伸科技有限公司18143011203 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [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]
上海鑫圭生物科技有限公司
Related reactions
18 records
Compound notes
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