Basic information
- CAS
120136-29-0- Standard SMILES
C#Cc1ccc(OC)c(Cl)c1- InChIKey
CQJNAMMLEBMXFO-UHFFFAOYSA-N- Molecular formula
- C9H7ClO
- Average molar mass
- 166.6 g/mol
- Monoisotopic mass
- 166.0185425
Names & identifiers
- Preferred name
- 2-Chloro-4-ethynyl-1-methoxybenzene
- IUPAC
- 2-chloro-4-ethynyl-1-methoxybenzene
- English name
- 2-Chloro-4-ethynyl-1-methoxybenzene
- Molecular formula
- C9H7ClO
- Molecular weight
- 166.6
Names & synonyms
2-chloro-4-ethynyl-1-methoxybenzene120136-29-0Benzene, 2-chloro-4-ethynyl-1-methoxy-MFCD266368983-Cl-4-CH3O-C6H3-CCHDTXSID90424054VEA136292-chloro-4-ethynyl-1-methoxy-benzeneAKOS023428815SY206231EN300-227284G75648
Show more names
A1-12642Z1649746536
Database identifiers
- CAS
120136-29-0- PubChem CID
- 6431983
- DTXSID
DTXSID90424054- EC Number
- 120-814-0
- Nikkaji
- J3.228.424H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 236 · 236.0±30.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification 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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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