Basic information
- CAS
29815-94-9- Standard SMILES
O=C(O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1- InChIKey
ZKNSZZXBPSICFK-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O4
- Average molar mass
- 313.1 g/mol
- Monoisotopic mass
- 311.9956142
Overview
structure
Names & identifiers
- Preferred name
- 2,2-Bis(4-chlorophenoxy)acetic acid
- IUPAC
- 2,2-bis(4-chlorophenoxy)acetic acid
- English name
- Bis(4-chlorophenoxy)acetic acid
- Molecular formula
- C14H10Cl2O4
- Molecular weight
- 313.13
Names & synonyms
Bis(4-chlorophenoxy)acetic acidRefortan29815-94-92,2-bis(4-chlorophenoxy)acetic acidAcetic acid, bis(4-chlorophenoxy)-ACETIC ACID, BIS(p-CHLOROPHENOXY)-OF4F563P2RDTXSID0040753RefChem:879054DTXCID8020753249-874-7Bis(p-chlorophenoxy)acetic acid
Show more names
LABOTEST-BB LT00452608bis(chlorophenoxy)acetic acidbis(p-chlorophenoxy)-aceticacibis(4-chlorophenoxy)-aceticaci2,2-bis(4-chlorophenoxy)ethanoic acid
MFCD00004227Glyoxylic acid, 2-(bis(p-chlorophenyl)acetal)-EINECS 249-874-7BRN 1887740UNII-OF4F563P2R2-(Bis(p-chlorophenyl)acetal)glyoxylic acid4-06-00-00858 (Beilstein Handbook Reference)SCHEMBL503845
Database identifiers
- CAS
29815-94-9- PubChem CID
- 34706
- DTXSID
DTXSID0040753- ChEMBL
CHEMBL1864088
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 138 · 138-140 °C(lit.)
- Boiling point
- 464 · 464.0±40.0 °C(Predicted)
- Density
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- pka
- 1.58 · 1.58±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 F563P2R · OF4F563P2R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 5470000 · AF5470000
- Toxicity
- 50 · mouse,LD50,oral,555mg/kg (555mg/kg),Chimica Therapeutica. Vol. 5, Pg. 211, 1970.
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
- wgk
- 3
- rtecs
- AF5470000
- Toxicity
- mouse,LD50,oral,555mg/kg (555mg/kg),Chimica Therapeutica. Vol. 5, Pg. 211, 1970.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers10 total
宁波振岳医药科技有限公司19817745290 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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