Basic information
- CAS
24691-30-3- Standard SMILES
Cc1[nH]c(C(=O)O)c(Cl)c1Cl- InChIKey
HIXZMJPBUJFSPJ-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2NO2
- Average molar mass
- 194.01 g/mol
- Monoisotopic mass
- 192.9697338
Names & identifiers
- Preferred name
- 3,4-Dichloro-5-methyl-1H-pyrrole-2-carboxylic acid
- IUPAC
- 3,4-dichloro-5-methyl-1H-pyrrole-2-carboxylic acid
- English name
- 3,4-Dichloro-5-methylpyrrole-2-carboxylic acid
- Molecular formula
- C6H5Cl2NO2
- Molecular weight
- 194.02
Names & synonyms
24691-30-33,4-Dichloro-5-methyl-1H-pyrrole-2-carboxylic acid3,4-Dichloro-5-methylpyrrole-2-carboxylic acidMFCD09991685C6H5Cl2NO21H-Pyrrole-2-carboxylic acid, 3,4-dichloro-5-methyl-SCHEMBL510562SKL384DTXSID20648827HIXZMJPBUJFSPJ-UHFFFAOYSA-NZAA69130AKOS006313524
Show more names
SB62127BS-53369SY552319CS-01130213,4-Dichloro-5-methyl-1H-pyrrole-2-carboxylicacid3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxylic acid
Database identifiers
- CAS
24691-30-3- PubChem CID
- 25137682
- DTXSID
DTXSID20648827- EC Number
- 607-421-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 376.2 · 376.2±37.0 °C(Predicted)
- Density
- 1.61 · 1.610±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.6 · 3.60±0.50(Predicted)
- Appearance
- Off-white to pink Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers15 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
苏州启航生物科技有限公司18151111370
南京诺利斯医药科技有限公司13901585132 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
17 records
Compound notes
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