Basic information
- CAS
7044-92-0- Standard SMILES
Cc1cc(C=O)c(C)cc1C=O- InChIKey
AIBJDPZNCNFKMR-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 2,5-Dimethylbenzene-1,4-dicarbaldehyde
- IUPAC
- 2,5-dimethylterephthalaldehyde
- English name
- 3,6-Dimethylterephthalaldehyde
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
7044-92-02,5-DIMETHYLBENZENE-1,4-DICARBALDEHYDERefChem:444564852-426-92,5-Dimethylterephthalaldehyde2,5-dimethyl-1,4-benzenedicarboxaldehydeMFCD007194621,4-Benzenedicarboxaldehyde, 2,5-dimethyl-Terephthalaldehyde, 2,5-dimethyl-SCHEMBL2884919YSZC4903,6-Dimethylterephthalaldehyde
Show more names
2,5-dimethyl-1,4-benzenedimethylaldehyde2,5-dimethylbenzene-1,4-dicarboxaldehyde
2,5-Dimethyl-1,4-benzenedicarbaldehydeSCHEMBL11673433AIBJDPZNCNFKMR-UHFFFAOYSA-NHAA044922,5-dimethylbenzene-1,4-dialdehydeAKOS003617034AS-77559SY342676
Database identifiers
- CAS
7044-92-0- PubChem CID
- 595698
- EC Number
- 852-426-9
- Nikkaji
- J101.420J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 55 · 55-56 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 303.3 · 303.3±30.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C10H10O2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-6H,1-2H3
- InChIKey
- AIBJDPZNCNFKMR-UHFFFAOYSA-N
- SMILES
- C1(C=O)=CC(C)=C(C=O)C=C1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers50 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州德元凯化工有限公司17837139533 · [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]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
安庆东禾生物技术有限公司15056029383 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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