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Home> Encyclopedia > Hot Product Listed 2   > 2H-Isoindole-2-butanoicacid, 1,3-dihydro-1,3-dioxo-
10601-19-1 structure

2H-Isoindole-2-butanoicacid, 1,3-dihydro-1,3-dioxo-

Iupac Name:5-methoxy-1H-indole-3-carbaldehyde
CAS No.:10601-19-1
Molecular Weight:175.187
Molecular Formula:C10H18N4O (isomer)
Names and Identifiers
Synonyms

1,3-dihydro-1,3-dioxo-2h-isoindole-2-butanoic acid 2h-isoindole-2-butanoic acid, 1,3-dihydro-1,3-dioxo- 2h-isoindole-2-butanoic acid,3-dihydro-1,3-dioxo- 2-isoindolinebutyric acid, 1,3-dioxo- 2-isoindolinebutyric acid,3-dioxo- 2-Isoindolinebutyricacid, 1,3-dioxo- (6CI,7CI,8CI) 2P-934 4-(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)butanoic acid 4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid 4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid # 4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoicacid 4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyri c acid 4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-butyric acid 4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)butyric Acid 4(1,3-dioxo-1,3-dihydroisoindol-2-yl)butyric acid 4-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)butanoic acid 4-(1,3-dioxobenzo[c]azolin-2-yl)butanoic acid 4-(1,3-dioxoisoindol-2-yl)butanoic acid 4-(n-phthalimide)butanoic acid 4-(phthalimid-1-yl)butanoic acid 4-phtalimido-butyric acid 4-phthalimidobutanoic acid 4-phthalimidobuttersaure 4-phthalimidobuttersaure [german] 4-phthalimidobutyric acid 4-phthalimidylbutanoic acid 5-21-10-00481 (beilstein handbook reference) AB00073810-01 AB0040992 AC1L2BZR AC1Q75GW AE-848/01247032 ai3-04699 AJ-10494 AKOS000109292 ALBB-005291 AZ0001-0288 BAS 00104260 BB 0244832 brn 0208243 butyric acid, 4-phthalimido- cambridge id 5107302 CBDIVE_014309 CCG-15147 CHEMBL81673 CTK1C2604 DB-006528 DTXSID10185231 EBD42617 EN300-00150 F0849-0200 F1189-0010 FT-0084749 FT-0634687 gamma-phthalimidobutyric acid g-Phthalimidobutyric acid HMKSXJBFBVGLJJ-UHFFFAOYSA-N HMS1541B04 I04-5678 J-513196 LS-84704 mfcd00196079 MOLPORT-000-255-063 n-phthaloyl gaba n-phthalyl-.gamma.-aminobutyric acid N-Phthalyl-g-aminobutyric acid n-phthalyl-gamma-aminobutyric acid nsc 119133 nsc119133 nsc-119133 OPREA1_184274 OPREA1_575690 P2112 QC-1968 RP07514 SBB009239 SCHEMBL877279 sr-01000390253 SR-01000390253-1 ST037667 ST24042780 STK298624 STOCK4S-99336 TIMTEC1_002490 VZ27628 Y-8998 ZERO/001688 ZINC80458

Inchi
InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3
InChkey
TUWARWGEOHQXCO-UHFFFAOYSA-N
Canonical Smiles
COC1=CC2=C(C=C1)NC=C2C=O
Properties
Melting Point
180-184℃
Boiling Point
442°C at 760 mmHg
Vapour
7.89E-06mmHg at 25°C
Refractive Index
1.679
HS Code
2933990090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:175.187g/mol
  • Molecular Formula:C10H18N4O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.7
  • Exact Mass:175.063
  • Monoisotopic Mass:175.063
  • Complexity:195
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:42.1A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAzhngY+xvLJlACo Azx3xACCiCA1IiAI2aE+bNgMJvrEtZuEMahk0BHI6ce83PLOgEABAAACAAAAgAIAAAQAAAAAAAAA AA==
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