Basic information
- CAS
3598-66-1- Standard SMILES
C#CCOc1c(Cl)cccc1Cl- InChIKey
HCGOBPUSIBTNRV-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O
- Average molar mass
- 201.05 g/mol
- Monoisotopic mass
- 199.9795702
Names & identifiers
- Preferred name
- 1,3-Dichloro-2-(prop-2-yn-1-yloxy)benzene
- IUPAC
- 1,3-dichloro-2-prop-2-ynoxybenzene
- English name
- 3-(2,6-DICHLOROPHENOXY)-1-PROPYNE
- Molecular formula
- C9H6Cl2O
- Molecular weight
- 201.05
Names & synonyms
3598-66-11,3-dichloro-2-(prop-2-yn-1-yloxy)benzene3-(2,6-DICHLOROPHENOXY)-1-PROPYNE1,3-dichloro-2-prop-2-ynoxybenzene31401,3-Dichloro-2-(prop-2-ynyloxy)benzeneMFCD000527171,3-dichloro-2-(prop-2-ynyloxy)benzene1,3-dichloro-2-prop-2-ynyloxybenzene3-(2,6-dichlorophenoxy)prop-1-yneCDS1_000613Maybridge1_002901DivK1c_001653
Show more names
1,3-Dichloro-2-(propargyloxy)benzene3-(2,6-DICHLOROPHENOXY)-1-PROPYNE 97%1,3-Dichloro-2-(2-propyn-1-yloxy)benzeneBenzene, 1,3-dichloro-2-(2-propyn-1-yloxy)-
SCHEMBL186344SCHEMBL16395177SCHEMBL16395567HMS549L19DTXSID10380284SBB071503AKOS008950299AS-9109
Database identifiers
- CAS
3598-66-1- PubChem CID
- 2776880
- DTXSID
DTXSID10380284- Nikkaji
- J265.516K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 40 · 40-42°C
- BRN
- 2091839 · 2091839
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 22 · 22-24/25-26
- HS Code
- 2902900000 · 2902900000
Safety & regulation
Safety data
- hs_code
- 2902900000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 22-24/25-26
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海鑫矽新材料有限公司13585834793 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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