Basic information
- CAS
77060-74-3- Standard SMILES
COC(=O)c1cc(O)c2ccccc2c1O- InChIKey
CRMAPJSLKLVFBT-UHFFFAOYSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Overview
Methyl 1,4-dihydroxy-2-naphthoate has been reported in Rhoiptelea chiliantha with data available.
Names & identifiers
- Preferred name
- Methyl 1,4-dihydroxy-2-naphthoate
- IUPAC
- methyl 1,4-dihydroxynaphthalene-2-carboxylate
- English name
- 1,4-dihydroxy-2naphthoic acid methyl ester
- Molecular formula
- C12H10O4
- Molecular weight
- 218.21
Names & synonyms
Methyl 1,4-dihydroxy-2-naphthoate77060-74-3DTXSID70345394RefChem:157132DTXCID60296467635-662-5methyl 1,4-dihydroxynaphthalene-2-carboxylateMFCD00573066Methyl1,4-dihydroxy-2-naphthoate2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, methyl ester1,4-dihydroxy-2-Naphthalenecarboxylic acid methyl esterAKOS016005559
Show more names
Methyl 1,4-dihydroxy-2-phthoateMETHYL-1,4-DIHYDROXY-2-NAPHTHOATE1,4-Dihydroxy-2-naphthoic acid methylester
CS-0455695Methyl 1,4-dihFT-0738037SCHEMBL1791233Methyl 1,4-dihydroxy-2-naphthoate #AS-61572SY104771DB-075227
Database identifiers
- CAS
77060-74-3- PubChem CID
- 604167
- DTXSID
DTXSID70345394- EC Number
- 635-662-5
- Nikkaji
- J1.521.220I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 192 · 192-193 ºC
- Boiling point
- 432.9 · 432.9±25.0 °C(Predicted)
- Density
- 1.378 · 1.378
- storage temp.
- 2 · 2-8°C
- pka
- 8.77 · 8.77±0.50(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses1,4-dihydroxy-2naphthoic acid methyl ester can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Suppliers78 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
常州佳德医药科技有限公司18006124028 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
梯希爱（上海）化工贸易有限公司
Related reactions
3 records
Compound notes
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