Basic information
- CAS
31996-10-8- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c2c(C(=O)OC)ccc(C(=O)OC)c12- InChIKey
QGAXWPQVFUUSGN-UHFFFAOYSA-N- Molecular formula
- C18H16O8
- Average molar mass
- 360.3 g/mol
- Monoisotopic mass
- 360.08451746
Names & identifiers
- Preferred name
- Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester
- IUPAC
- tetramethyl naphthalene-1,4,5,8-tetracarboxylate
- English name
- Tetramethyl 1,4,5,8-naphthalenetetracarboxylate
- Molecular formula
- C18H16O8
- Molecular weight
- 360.31
Names & synonyms
Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl esterRefChem:831853622-242-131996-10-8tetramethyl naphthalene-1,4,5,8-tetracarboxylateTetramethyl 1,4,5,8-naphthalenetetracarboxylate1,4,5,8-tetramethyl naphthalene-1,4,5,8-tetracarboxylateNaphthalene-1,4,5,8-tetracarboxylic acid, tetramethyl ester1,4,5,8-Naphthalenetetracarboxylic acid tetramethyl ester1,4,5,8-Naphthalenetetracarboxylicacid, 1,4,5,8-tetramethyl esterTimTec1_006863orb3214373
Show more names
1,4,5,8-Naphthalenetetracarboxylic acid, 1,4,5,8-tetramethyl ester
SCHEMBL10548787QGAXWPQVFUUSGN-UHFFFAOYSA-DTXSID80334390QGAXWPQVFUUSGN-UHFFFAOYSA-NHMS1553H21AKOS000513390ST4079307CS-0182970
Database identifiers
- CAS
31996-10-8
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 200 · 200-203 °C
- Density
- 1.309 · 1.309
- NIST Chemistry Reference
- -1 · Naphthalene-1,4,5,8-tetracarboxylic acid, tetramethyl ester(31996-10-8)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers22 total
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海希凯姆医药开发有限公司13889470786 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
CHEMSOON CO.,LTD.+8613761723174 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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