Basic information
- CAS
23694-46-4- Standard SMILES
Clc1ccccc1Cn1cccc1- InChIKey
HEQHSFOPJKRGFK-UHFFFAOYSA-N- Molecular formula
- C11H10ClN
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.050177
Names & identifiers
- Preferred name
- 1-(o-Chlorobenzyl)-1H-pyrrole
- IUPAC
- 1-[(2-chlorophenyl)methyl]pyrrole
- English name
- 1-(o-chlorobenzyl)-1H-pyrrole
- Molecular formula
- C11H10ClN
- Molecular weight
- 191.66
Names & synonyms
1-(o-Chlorobenzyl)-1H-pyrroleEINECS 245-830-61-[(2-chlorophenyl)methyl]-1H-pyrrole1-((2-Chlorophenyl)methyl)-1H-pyrroleRefChem:428095245-830-61-(2-chlorobenzyl)-1h-pyrrole23694-46-41-[(2-chlorophenyl)methyl]pyrrole242818-00-41-(2-Chlorobenzyl)pyrroleSCHEMBL24534737
Show more names
1H-Pyrrole, 1-[(2-chlorophenyl)methyl]-
DTXSID50946500HEQHSFOPJKRGFK-UHFFFAOYSA-NAKOS008961895NS00050787
Database identifiers
- CAS
23694-46-4- PubChem CID
- 90240
- DTXSID
DTXSID50946500- EC Number
- 245-830-6
- Nikkaji
- J36.867I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 110 · 110-112 °C(Press: 2 Torr)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- -3.57 · -3.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H410
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
- REACH Registrations
- Inactive
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, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-(o-chlorobenzyl)-1H-pyrrole (EC: 245-830-6)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H410
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers8 total
宁波振岳医药科技有限公司19817745290 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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