Basic information
- CAS
2519-61-1- Standard SMILES
O=C(O)Cc1c[nH]c2cccc(Cl)c12- InChIKey
WNCFBCKZRJDRKZ-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0243562
Overview
4-chloroindole-3-acetic acid is a chloroindole-3-acetic acid. It has a role as an auxin.
Names & identifiers
- Preferred name
- 4-Chloroindole-3-acetic acid
- IUPAC
- 2-(4-chloro-1H-indol-3-yl)acetic acid
- English name
- 4-Chloroindole-3-acetic acid
- Molecular formula
- C10H8ClNO2
- Molecular weight
- 209.63
Names & synonyms
4-Chloroindole-3-acetic acid2519-61-12-(4-chloro-1H-indol-3-yl)acetic acid4-Cl-Iaa4-chloro-1H-indole-3-acetic acidRF78HU5XXVNSC-295294DTXSID10179857CHEBI:20339RefChem:98580DTXCID70102348821-329-3
Show more names
NSC 2952944-chloroindole-3-aceticaci4-CHLORO-3-INDOLEACETIC ACID4-Chloroindole-3-aceticacid,95%
1H-Indole-3-acetic acid, 4-chloro-4-Chloro-IAAMFCD00216155(4-chloro-1H-indol-3-yl)acetic acid4-chloroindoleacetic acid4-chloroindolyl-3-acetic acid2-(4-Chloro-3-indolyl)acetic AcidNSC295294
Database identifiers
- CAS
2519-61-1- PubChem CID
- 100413
- DTXSID
DTXSID10179857- ChEMBL
CHEMBL309993- ChEBI
CHEBI:20339- UNII
- RF78HU5XXV
- EC Number
- 821-329-3
- Nikkaji
- J489.563K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Melting Point179 - 180 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 188 ℃ · approximate 188℃
- Boiling point
- 445.6 · 445.6±30.0 °C(Predicted)
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol
- form
- Solid
- pka
- 4.28 · 4.28±0.30(Predicted)
- color
- Off-White to Light Brown
- FDA UNII
- 78 HU5XXV · RF78HU5XXV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
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 31 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 16-26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses5,6-Dichloroindole-3-acetic acid and 4-Chloroindole-3-acetic acid are potent candidates for new rooting promoters without estrogenic activity. Plant growth stimulators.
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南通萧畅医药贸易有限公司0513-82104991 15716298942 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…