Basic information
- CAS
380448-07-7- Standard SMILES
O=Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12- InChIKey
RLWPMCOCDJKMEY-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO3
- Average molar mass
- 223.61 g/mol
- Monoisotopic mass
- 223.0036207
Names & identifiers
- Preferred name
- 5-chloro-3-formyl-1H-indole-2-carboxylic acid
- IUPAC
- 5-chloro-3-formyl-1H-indole-2-carboxylic acid
- English name
- 5-Chloro-3-formyl-1H-indole-2-carboxylic acid
- Molecular formula
- C10H6ClNO3
- Molecular weight
- 223.61
Names & synonyms
5-chloro-3-formyl-1H-indole-2-carboxylic Acid380448-07-7RefChem:534704865-688-45-chloro-3-formylindole-2-carboxylic acidMFCD049669511H-Indole-2-carboxylic acid, 5-chloro-3-formyl-SCHEMBL1504122RLWPMCOCDJKMEY-UHFFFAOYSA-NFQA44807SBB019410STK695495
Show more names
IFLAB-BB F2113-0050AKOS001476258AS-67488SY096656DB-219450ST4148035CS-00390845-chloro-3-formyl-1H-indole-2-carboxylicAcid
Database identifiers
- CAS
380448-07-7- PubChem CID
- 4714969
- EC Number
- 865-688-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 508.8 · 508.8±50.0 °C(Predicted)
- Density
- 1.62 · 1.620±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.56 · 4.56±0.30(Predicted)
- Appearance
- Light yellow to green yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽勇晟医药科技有限公司3307 18017383231 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
苏州启航生物科技有限公司18151111370
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海安米克化学品有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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