CAS 33605-73-1 (S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamide (HCID 118093)

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Basic information

CAS: 33605-73-1
Standard SMILES: O=CNC1CC(=O)OC1=O
InChIKey: DFTMVZIUYVECNW-UHFFFAOYSA-N
Molecular formula: C5H5NO4
Average molar mass: 143.1 g/mol
Monoisotopic mass: 143.02185764

Names & identifiers

Preferred name: (S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamide
IUPAC: N-(2,5-dioxooxolan-3-yl)formamide
English name: (S)-(-)-2-Formamidosuccinic anhydride
Molecular formula: C5H5NO4
Molecular weight: 143.1

Names & synonyms

EINECS 251-589-8(S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamideRefChem:408184251-589-8Aspartic anhydride, N-formyl-SCHEMBL2403213DTXSID90955237AKOS0062221112,5-Dioxotetrahydro-3-furanylformamide(2,5-Dioxooxolan-3-yl)methanimidic acid2,5-Dioxotetrahydro-3-furanylformamide #DB-068862

Show more names

(S)-N-(2,5-dioxotetrahydrofuran-3-yl)formamideN-Formylaspartic anhydrideN-Formyl-L-aspartic anhydride)-2-ForMaMidosuccinic anhydride(S)-(-)-2-Formamidosuccinic anhydrideN-[(3S)-2,5-dioxooxolan-3-yl]formamide(S)-(?)-2-Formamidosuccinic anhydrideFormamide,N-[(3S)-tetrahydro-2,5-dioxo-3-furanyl]-(S)-(-)-2-Formamidosuccinic anhydride technical grade, 90%

Database identifiers

CAS: 33605-73-1

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 145 · 145-155 °C (dec.)(lit.)
optical activity: 20 · [α]20/D -53°, c =1 in acetic acid
InChI: 1S/C5H5NO4/c7-2-6-3-1-4(8)10-5(3)9/h2-3H,1H2,(H,6,7)/t3-/m0/s1
InChIKey: DFTMVZIUYVECNW-VKHMYHEASA-N
SMILES: O=CN[C@H]1CC(=O)OC1=O
UNSPSC Code: 12352005 · 12352005
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany

Safety & regulation

GHS classification

GHS Classification · 5 items

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 39 reports by companies from 2 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. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications

Chemistry & industry

Suppliers21 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

艾科试剂4008-755-333 18080918076 · [email protected]

广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]

Related reactions

8 records

New reaction record

HRID 165640As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 291342As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 301757As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 673905As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1136997As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1149743As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1228301As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2122610As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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