Completing data — refresh the page later to see the latest
Basic information
- CAS
923-42-2- Standard SMILES
O=C(O)CCC(CC(=O)O)C(=O)O- InChIKey
LOGBRYZYTBQBTB-UHFFFAOYSA-N- Molecular formula
- C7H10O6
- Average molar mass
- 190.151 g/mol
- Monoisotopic mass
- 190.04773804
Names & identifiers
- Preferred name
- 1,2,4-Butanetricarboxylic acid
- IUPAC
- Butane-1,2,4-tricarboxylic acid
- English name
- 1,2,4-BUTANETRICARBOXYLIC ACID
- Molecular formula
- C7H10O6
- Molecular weight
- 190.15
Names & synonyms
NSC 8447NSC 601273-Carboxyadipic acid1,2,4-Tricarboxybutane3-Carboxyhexanedioic acid1,2,4-BUTANETRICARBOXYLIC ACIDbutane-1,2,4-tricarboxylic acid2-[[(carboxymethylthio)-phenylmethyl]amino]benzoic acid
Database identifiers
- CAS
923-42-2- PubChem CID
- 222467
- DTXSID
DTXSID80278609- ChEMBL
CHEMBL65860- ChEBI
CHEBI:233218- EC Number
- 625-424-9
- Nikkaji
- J23.161D
Properties
Physicochemical properties
- Melting point
- 117 · 117-120 °C (lit.)
- Boiling point
- 116 · 116-117 °C(Press: 1 Torr)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.31 · 4.31±0.23(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
- InChIKey
- LOGBRYZYTBQBTB-UHFFFAOYSA-N
- SMILES
- OC(=O)CCC(CC(O)=O)C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBiological activity:Tetracoordinate Ni(II) binding by E. coli NikA employs His416 residue in conjunction with three carboxylate ligands from butane-1,2,4-tricarboxylate (BTC)Potential inhibitor of glutamate carboxypeptidase II
Suppliers44 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…