Diethyl 2,5-diaminoterephthalate
Basic information
- CAS
15403-46-0- Standard SMILES
CCOC(=O)c1cc(N)c(C(=O)OCC)cc1N- InChIKey
KMKCBOQRRWZRII-UHFFFAOYSA-N- Molecular formula
- C12H16N2O4
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.11100699
Names & identifiers
- Preferred name
- Diethyl 2,5-diaminoterephthalate
- IUPAC
- diethyl 2,5-diaminobenzene-1,4-dicarboxylate
- English name
- 2,5-Diaminoterephthalic acid diethyl ester
- Molecular formula
- C12H16N2O4
- Molecular weight
- 252.27
Names & synonyms
diethyl 2,5-diaminoterephthalateDTXSID80317461RefChem:587073DTXCID20268584621-433-715403-46-02,5-Diaminoterephthalic acid diethyl esterdiethyl 2,5-diaminobenzene-1,4-dicarboxylateMFCD00629358NSC315847Diethyl 25-diaminoterephthalatediethyl2,5-diaminoterephthalate
Show more names
2,5-diaminoparabenzenedimacetic acidiethyl ester1,4-Benzenedicarboxylic acid, 2,5-diamino-, 1,4-diethyl ester
SCHEMBL74718682,5-Diamino-1,4-benzenedicarboxylic acid diethyl esterKMKCBOQRRWZRII-UHFFFAOYSA-NAKOS022172030NSC-315847AS-76748SY327008DB-297168
Database identifiers
- CAS
15403-46-0- PubChem CID
- 330097
- DTXSID
DTXSID80317461- EC Number
- 621-433-7
- Nikkaji
- J14.692G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 163 · 163-166 °C
- Boiling point
- 422.5 · 422.5±40.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.86 · 2.86±0.10(Predicted)
- Appearance
- Orange to red Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…