Basic information
- CAS
133831-28-4- Standard SMILES
COC(=O)c1ccc2c(C=O)c[nH]c2c1- InChIKey
KRDRROJESQUFMJ-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- methyl 3-formyl-1H-indole-6-carboxylate
- IUPAC
- methyl 3-formyl-1H-indole-6-carboxylate
- English name
- METHYL 3-FORMYLINDOLE-6-CARBOXYLATE
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
methyl 3-formyl-1H-indole-6-carboxylateRefChem:815472674-202-8Methyl 3-formylindole-6-carboxylate133831-28-4MFCD002164791H-Indole-6-carboxylic acid, 3-formyl-, methyl esterMETHYL3-FORMYLINDOLE-6-CARBOXYLATE3-Formyl-1H-Indole-6-Carboxylic Acid Methyl EsterSCHEMBL212820DTXSID90352868KRDRROJESQUFMJ-UHFFFAOYSA-N
Show more names
RARECHEM AH BS 0104TIMTEC-BB SBB0035163-Formindole-6-carboxylic acid methyl esterMethyl 3-formyl-1H-indole-6-carboxylate 95+%3-FORMYLINDOLE-6-CARBOXYLIC ACID METHYL ESTERMethyl 3-forMylindole-6-carboxylate, 95% 2.5GR
LABOTEST-BB LT00441287SBB003516AKOS0050630556-methoxycarbonylindol-3-carboxaldehydeAC-3036PS-4203Methyl 3-formyl-1H-indol-6-carboxylateMethyl 3-formylindole-6-carboxylate,95%
Database identifiers
- CAS
133831-28-4- PubChem CID
- 735867
- DTXSID
DTXSID90352868- EC Number
- 674-202-8
- Nikkaji
- J3.072.307D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 219 · 219-224 °C
- Boiling point
- 341.49 °C · 341.49°C (rough estimate)
- Density
- 1.2621 · 1.2621 (rough estimate)
- refractive index
- 1.495 · 1.4950 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.3 · 14.30±0.30(Predicted)
- form
- Powder
- color
- Pale reddish-brown to purple
- CAS DataBase Reference
- 133831 · 133831-28-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Safety Statements
- 24 · 24/25
- 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.
GHS classification
GHS Classification
Warning
H315+H320 (50%): Cause skin and eye irritation [Warning Skin corrosion/irritation and serious eye damage/eye 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 2 reports by companies from 2 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
- 29339980
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers95 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
杭州东帆化学有限公司86-0571-85151182
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
上海慧客化学有限公司15026939015 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京后秀医药科技有限公司15252458249 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
河南氢硅新材料科技有限公司00-18037331-859 18037331859 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Related reactions
20 records
Compound notes
Loading…