Basic information
- CAS
3347-99-7- Standard SMILES
Cc1ccc(C(=O)O)cc1C(=O)O- InChIKey
PNWSHHILERSSLF-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
Names & identifiers
- Preferred name
- 4-Methylbenzene-1,3-dicarboxylic acid
- IUPAC
- 4-methylbenzene-1,3-dicarboxylic acid
- English name
- 5-Methylisophthalic acid
- Molecular formula
- C9H8O4
- Molecular weight
- 180.16
Names & synonyms
3347-99-74-methylbenzene-1,3-dicarboxylic acidRefChem:525532963-906-34-Methylisophthalic acid4-Methyl-isophthalic acid1,3-Benzenedicarboxylic acid, 4-methyl-MFCD09878876Isophthalic acid, 4-methyl-2,4-Toluenedicarboxylic acid4-Methylisophthalsaure4-Methylisophthalicacid
Show more names
UVITIC ACID5-METHYL-1,3-BENZOIC ACID5-METHYL-1,3-BENZENEDICARBOXYLIC ACID5-METHYLBENZENE-1,3-DICARBOXYLIC ACID
SCHEMBL69633SCHEMBL5311326SCHEMBL8647161SCHEMBL8647171RARECHEM AL BO 1540TIMTEC-BB SBB008429DAA34799AKOS006311106
Database identifiers
- CAS
3347-99-7- PubChem CID
- 595750
- EC Number
- 963-906-3
- Nikkaji
- J101.875B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 299 · 299-303 °C(lit.)
- Boiling point
- 418.1 · 418.1±33.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.5 · 3.50±0.25(Predicted)
- Appearance
- White to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
Safety & regulation
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 2 reports by companies from 1 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Suppliers37 total
杭州鸿喜生物医药科技有限公司18989489206 · [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]
郑州汇聚化工有限公司13393710386 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Related reactions
9 records
Compound notes
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