Phthalimide, N-(2-formylethyl)-

HCID 75525

Basic information

CAS
2436-29-5
Standard SMILES
O=CCCN1C(=O)c2ccccc2C1=O
InChIKey
IBSDSIHTMABATG-UHFFFAOYSA-N
Molecular formula
C11H9NO3
Average molar mass
203.19 g/mol
Monoisotopic mass
203.05824315

Names & identifiers

Preferred name
Phthalimide, N-(2-formylethyl)-
IUPAC
3-(1,3-dioxoisoindol-2-yl)propanal
English name
3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONALDEHYDE
Molecular formula
C11H9NO3
Molecular weight
203.19

Names & synonyms

2436-29-53-PhthalimidopropionaldehydePhthalimide, N-(2-formylethyl)-2H-Isoindole-2-propanal, 1,3-dihydro-1,3-dioxo-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanalbeta-PhthalimidopropionaldehydeNSC 166600BRN 0165375DTXSID90179097EC 700-133-05-21-10-00396 (Beilstein Handbook Reference)RefChem:863043
Show more names
3-PhthalimidylpropanalN-(3-Oxopropyl)phthalimidePhthalimidopropionaldehyde3-(Phthalimid-1-yl)propanalN-(2-Formylethyl)phthalimide.beta.-Phthalimidopropionaldehyde
DTXCID201015882H-Isoindole-2-propanal, 1,3-dihydro-1,3-dioxo-(9CI)700-133-03-(1,3-Dioxoisoindolin-2-yl)propanal3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propionaldehyde3-(1,3-dioxoisoindol-2-yl)propanalMFCD01704466NSC166600

Database identifiers

CAS
2436-29-5
PubChem CID
75525
DTXSID
DTXSID90179097
EC Number
700-133-0
Nikkaji
J50.517J

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Melting point
136 · 136-141 ºC
Boiling point
352.7 · 352.7±25.0 °C(Predicted)
Density
1.319 · 1.319±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
form
solid
pka
-2.24 · -2.24±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 44.4% (4 of 9) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (55.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (55.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (44.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 9 reports by companies.;There are 4 notifications provided by 5 of 9 reports by companies with hazard statement code(s).;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

Regulatory InformationStatus: Active Update: 21-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/4867;Status: Active Update: 05-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/18300
Hazard Classes and CategoriesAcute Tox. 4 (33.3%);Acute Tox. 4 (33.3%);Skin Irrit. 2 (55.6%);Eye Irrit. 2 (55.6%);Acute Tox. 4 (33.3%);STOT SE 3 (44.4%)

Regulatory information

Regulatory InformationStatus: Active Update: 21-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/4867;Status: Active Update: 05-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/18300

Safety data

hs_code
2909498090
Toxicity
mouse,LD50,intraperitoneal,1055mg/kg (1055mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Journal of Pharmaceutical Sciences. Vol. 57, Pg. 815, 1968.
risk_code
22-36-43
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
hazard_code
Xn

Chemistry & industry

Applications

Description3-(1,3-Dioxoisoindol-2-yl)propanal is an aldehyde organic compound, which can be used as a pharmaceutical intermediate.

Uses3-(1,3-Dioxoisoindol-2-yl)propanal is a key intermediate in the preparation of atorvastatin (Lipitor).

Suppliers100 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]

Related reactions

29 records

Compound notes

Loading…

CAS 2436-29-5 Phthalimide, N-(2-formylethyl)- (HCID 75525)|Huagongshe