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Basic information
- CAS
5044-38-2- Standard SMILES
Clc1ccc(-n2cccc2)cc1- InChIKey
LTOQUFIOYDCJFJ-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.634 g/mol
- Monoisotopic mass
- 177.03452694
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-1H-pyrrole
- IUPAC
- 1-(4-Chlorophenyl)-1H-pyrrole
- English name
- 1-(4-Chlorophenyl)-1H-pyrrole
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
1-(4-CHLOROPHENYL)PYRROLE1-(4-chlorophenyl)pyridine1-(4-Chlorophenyl)-1H-pyrrole1-(4-CHLOROPHENYL)PYRROLE 98%1H-Pyrrole,1-(4-chlorophenyl)-1-(4-Chlorophenyl)-1H-pyrrole 97%1-(4-Chlorophenyl)-1H-pyrrole,98%1-(4-Chlorophenyl)-1H-pyrrole 97%1-(4-Chlorophenyl)-1H-pyrrole
Database identifiers
- CAS
5044-38-2- PubChem CID
- 272425
- DTXSID
DTXSID50198481- UNII
- A43ZQX3DYH
- EC Number
- 624-742-5
- Nikkaji
- J102.592I
Properties
Physicochemical properties
- Melting point
- 88 · 88-91 °C(lit.)
- Boiling point
- 200 · 200-203 °C (95.2627 mmHg)
- Density
- 1.181 · 1.1810 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- -5.87 · -5.87±0.70(Predicted)
- form
- solid
- InChI
- 1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
- InChIKey
- LTOQUFIOYDCJFJ-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)-n2cccc2
- CAS DataBase Reference
- 5044 · 5044-38-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339980 · 29339980
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers53 total
济南药德生物科技有限公司17805033575; 17805033575 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
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Compound notes
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