Basic information
- CAS
18625-12-2- Standard SMILES
COC(=O)CCCOc1ccc(Cl)cc1Cl- InChIKey
NKXSNMCGZZWMMW-UHFFFAOYSA-N- Molecular formula
- C11H12Cl2O3
- Average molar mass
- 263.11 g/mol
- Monoisotopic mass
- 262.0163496
Names & identifiers
- Preferred name
- Butanoic acid, 4-(2,4-dichlorophenoxy)-, methyl ester
- IUPAC
- methyl 4-(2,4-dichlorophenoxy)butanoate
- English name
- 2,4-DB methyl ester
- Molecular formula
- C11H12Cl2O3
- Molecular weight
- 263.12
Names & synonyms
18625-12-22,4-DB-methyl esterButanoic acid, 4-(2,4-dichlorophenoxy)-, methyl esterDTXSID70171872RefChem:571518DTXCID5094363621-284-8Methyl 4-(2,4-dichlorophenoxy)butanoate2,4-dichlorophenoxybutyric acid, methyl esterMFCD00142813Butyric acid, 4-(2,4-dichlorophenoxy)-, methyl ester2,4-DB methyl ester
Show more names
2,4-db methyl ester solution2,4-db methyl (bsi,wssa,iso)C11982000 2,4-DB-methyLesterMethyl 4-(2,4- 2,4-DB-methyl ester2,4-DB-methyl ester Solution, 100ppm2,4-DB Methyl Ester@100 μg/mL in MeOHMETHYL 4-(2,4-DICHLOROPHENOXY)BUTYRATE2,4-DB methyl [email protected] mg/mL in Hexane
KBio2_0023762,4-DB-methylesterSpectrum_001863SpecPlus_000474Spectrum2_001852Spectrum3_000837Spectrum4_000677Spectrum5_001988
Database identifiers
- CAS
18625-12-2
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 353.9 · 353.9±32.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- Flash point
- -26 °C · -26 °C
- storage temp.
- 0 · 0-6°C
- BRN
- 2507525 · 2507525
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H410
- Precautionary statements
- 261 · P261-P264-P273-P280-P301+P312-P302+P352
- Hazard Codes
- Xi,N,Xn,F
- Risk Statements
- 22 · 22-43-50/53-67-65-62-51/53-48/20-38-11
- Safety Statements
- 26 · 26-29-36/37-46-60-61-62-33-16-9
- RIDADR
- 2588 · 2588
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1(b)
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, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 2588
- hs_code
- 2916310090
- risk_code
- 22-43-50/53-67-65-62-51/53-48/20-38-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N,Xn,F
- hazard_note
- Irritant
- safety_code
- 26-29-36/37-46-60-61-62-33-16-9
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H317-H410
- Precautionary statements
- P261-P264-P273-P280-P301+P312-P302+P352
Chemistry & industry
Suppliers19 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海颖心实验室设备有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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