Basic information
- CAS
175136-79-5- Standard SMILES
O=Cc1cccn1-c1cc(Cl)cc(Cl)c1- InChIKey
GNBDQGBCNPLAQK-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO
- Average molar mass
- 240.08 g/mol
- Monoisotopic mass
- 238.9904692
Names & identifiers
- Preferred name
- 1-(3,5-dichlorophenyl)-1H-pyrrole-2-carbaldehyde
- IUPAC
- 1-(3,5-dichlorophenyl)pyrrole-2-carbaldehyde
- English name
- 1-(3,5-Dichlorophenyl)-1H-pyrrole-2-carbaldehyde
- Molecular formula
- C11H7Cl2NO
- Molecular weight
- 240.09
Names & synonyms
175136-79-51-(3,5-dichlorophenyl)-1H-pyrrole-2-carbaldehyde1-(3,5-dichlorophenyl)pyrrole-2-carbaldehydeMFCD001742811H-Pyrrole-2-carboxaldehyde, 1-(3,5-dichlorophenyl)-1-(3,5-dichloro-phenyl)-1h-pyrrole-2-carbaldehyde1-(3,5-dichlorophenyl)-1H-pyrrole-2-carboxaldehydeSCHEMBL6417731DTXSID20380331GNBDQGBCNPLAQK-UHFFFAOYSA-NAHA13679SBB099205
Show more names
1-(3,5-Dichlorophenyl)pyrrole-2-carboxaldehyde, 96%1-(3,5-Dichlorophenyl)-1H-pyrrole-2-carbaldehyde, tech
STK894787AKOS001476751SB62803AS-69193DB-044039CS-0316413ST50825884N-(3,5-dichlorophenyl)pyrrole-2-carboxaldehyde
Database identifiers
- CAS
175136-79-5- PubChem CID
- 2777016
- DTXSID
DTXSID20380331- EC Number
- 681-397-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 384.3 · 384.3±37.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -10.26 · -10.26±0.70(Predicted)
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers14 total
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]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
成都艾娜华化学制剂有限公司028-86612776; 13699069380 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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