Basic information
- CAS
83511-07-3- Standard SMILES
O=C(O)c1cc2cc(O)ccc2cc1O- InChIKey
QMWOUSYSNFCKAZ-UHFFFAOYSA-N- Molecular formula
- C11H8O4
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.04225873
Names & identifiers
- Preferred name
- 3,7-Dihydroxy-2-naphthoic Acid
- IUPAC
- 3,7-dihydroxynaphthalene-2-carboxylic acid
- English name
- 3,7-Dihydroxy-2-naphthoic acid
- Molecular formula
- C11H8O4
- Molecular weight
- 204.18
Names & synonyms
3,7-DIHYDROXY-2-NAPHTHOIC ACID83511-07-33,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACIDDTXSID30352988RefChem:487693DTXCID20304052628-097-0MFCD000102532,6-Dihydroxy-3-Naphthoic acidCHEMBL1231350BIKSCHEMBL124773
Show more names
3,7-DIHYDROXY3,7-Dihydroxy-2-naph3,7-Dihydroxy-2-phthoic acid3,7-Dihydroxy-2-naphtoic acid3,7-Dihydroxy-2-naphthoicAcid>3,7-DIHYDROXY-2-NAPHTHOIC ACID 95%3,7-DIHYDROXY-2-NAPHTHOIC ACID 90+%
SCHEMBL29434908QMWOUSYSNFCKAZ-UHFFFAOYSA-NBDBM50379183EBC-04179SBB037881AKOS015856275CS-W015418DB04641
Database identifiers
- CAS
83511-07-3- PubChem CID
- 736299
- DTXSID
DTXSID30352988- ChEMBL
CHEMBL1231350- EC Number
- 628-097-0
- Nikkaji
- J441.050E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 265 °C±10 · 265 °C±10 °C (dec.) (lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Brown
- BRN
- 3288005 · 3288005
- InChI
- 1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
- InChIKey
- QMWOUSYSNFCKAZ-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cc2cc(O)ccc2cc1O
- CAS DataBase Reference
- 83511 · 83511-07-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS07
- Signal word
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 (97.6%)
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2918199890
- risk_code
- 22-36-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313-P301+P312+P330
Chemistry & industry
Applications
Uses3,7-Dihydroxy-2-naphthoic acid was used in the synthesis of 3-hydroxy-7-methoxy-2-naphthoic acid.
General Description3,7-Dihydroxy-2-naphthoic acid served as a substrate for the enzyme NcsB1 (an O-methyltransferase involved in the biosynthesis of the enediyne antitumor antibiotic neocarzinostatin) in the NcsB1-catalyzed O-methylation of 2,7-dihydroxy-5-methyl-1-naphthoic acid.
Suppliers75 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]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
3 records
Compound notes
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