Basic information
- CAS
40432-84-6- Standard SMILES
O=C(O)Cc1c[nH]c2ccc(Br)cc12- InChIKey
WTFGHMZUJMRWBK-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO2
- Average molar mass
- 254.08 g/mol
- Monoisotopic mass
- 252.97384
Names & identifiers
- Preferred name
- 5-Bromo-3-indoleacetic acid
- IUPAC
- 2-(5-bromo-1H-indol-3-yl)acetic acid
- English name
- 5-Bromoindole-3-acetic acid
- Molecular formula
- C10H8BrNO2
- Molecular weight
- 254.08
Names & synonyms
5-Bromo-3-indoleacetic acidJC6F5DNA2XNSC-88145EINECS 254-917-8DTXSID90193455NSC 88145RefChem:533522DTXCID00115946254-917-840432-84-65-Bromoindole-3-acetic acid2-(5-bromo-1H-indol-3-yl)acetic acid
Show more names
5-Br-IAA5-Bromoindole-3-acetic acid?New5-BROMOINDOLE-3-ACETIC ACID 99%5-Bromo-1H-indole-3-acetic acid5-Bromoindole-3-acetic acid,99%5-Bromoindole-3-acetic acid ,93%
(5-Bromo-1H-indol-3-yl)-acetic acid(5-bromo-1H-indol-3-yl)acetic acid1h-indole-3-acetic acid, 5-bromo-MFCD00005637CHEMBL824402-(5-bromoindol-3-yl)acetic acid4ojq2SX
Database identifiers
- CAS
40432-84-6- PubChem CID
- 96734
- DTXSID
DTXSID90193455- ChEMBL
CHEMBL82440- UNII
- JC6F5DNA2X
- EC Number
- 254-917-8
- Nikkaji
- J332.419B
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
Physicochemical properties
- Melting point
- 143 · 143-145 °C (lit.)
- Boiling point
- 466 · 466.0±30.0 °C(Predicted)
- Density
- 1.6254 · 1.6254 (rough estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Powder
- pka
- 4.36 · 4.36±0.30(Predicted)
- color
- Off-white to beige
- InChI
- 1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)
- InChIKey
- WTFGHMZUJMRWBK-UHFFFAOYSA-N
- SMILES
- OC(=O)Cc1c[nH]c2ccc(Br)cc12
- CAS DataBase Reference
- 40432 · 40432-84-6(CAS DataBase Reference)
- FDA UNII
- 6 F5DNA2X · JC6F5DNA2X
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
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]；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, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26-22
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses5-Bromoindole-3-acetic Acid can be used as reactant/reagent for design and synthesis and evaluation of novel auxin mimic herbicides for weed control activity.
Upstream & downstream products
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Related reactions
17 records
Compound notes
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