Basic information
- Standard SMILES
CCOC(=O)C=[N+]=[N-]- InChIKey
YVPJCJLMRRTDMQ-UHFFFAOYSA-N- Molecular formula
- C4H6N2O2
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.04292744
Names & identifiers
- Preferred name
- Ethyl diazoacetate
- IUPAC
- ethyl 2-diazoacetate
- English name
- Ethyl diazoacetate
- Molecular formula
- C4H6N2O2
- Molecular weight
- 114.1
Names & synonyms
Ethyl diazoacetate623-73-4Diazoacetic esterEthyldiazoacetateDAAEEthoxycarbonyldiazomethaneDiazoacetic acid, ethyl esterN84B835FMRNSC-79147DTXSID10878732RefChem:132757DTXCID201016771
Show more names
Ethyl diazoethanoateEthyl diazoatediazoaceticesterdiazoacetate soL
210-810-8Ethyl 2-diazoacetateethyl2-diazoacetateDiazoacetic acid ethyl esterEthyl-2-diazoacetateACETIC ACID, DIAZO-, ETHYL ESTERdiazo-acetic acid ethyl esterEthyl Diazoacetate (>90%)
Database identifiers
- CAS
623-73-4- PubChem CID
- 12192
- ChEMBL
CHEMBL4212182- UNII
- N84B835FMR
- EC Number
- 210-810-8
- Nikkaji
- J2.294.246H、J25.573D、J3.230.208D、J3.230.209B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
Density1.085 @25 °C
Physical DescriptionYellow liquid with a pungent odor; [Merck Index] Light to dark yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -22 °C · -22 °C (lit.)
- Boiling point
- 140 · 140-141 °C/720 mmHg (lit.)
- Density
- 1.085 g/mL · 1.085 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.46(lit.)
- Flash point
- 115 °F · 115 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Soluble), Hexane (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Light Yellow to Orange
- Merck
- 13 · 13,3021
- BRN
- 107654 · 107654
- InChI
- InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
- InChIKey
- YVPJCJLMRRTDMQ-UHFFFAOYSA-N
- SMILES
- C(=O)(OCC)C=[N+]=[N-]
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 84 B835FMR · N84B835FMR
- NIST Chemistry Reference
- Ethyl diazoacetate(623-73-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P264-P270-P303+P361+P353-P370+P378-P301+P312-P330-P403+P235-P501
- Hazard Codes
- Xn,F
- Risk Statements
- 5 · 5-10-22-40-67-65-48/20-38-11-63
- Safety Statements
- 36 · 36/37-62-16
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 5775000 · AG5775000
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29270000 · 29270000
- Storage Class
- 5.2 · 5.2 - Organic peroxides and self-reacting hazardous materials
- Hazard Classifications
- 4 OralCarc · Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3Self-react. ESkin Irrit. 2
- Limited Quantities
- 1 Kg · 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Not Permitted as Excepted Quantity
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 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
Regulatory InformationAcetic acid, diazo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Highly volatile and explosive; [Merck Index] May explode on heating; An irritant; May cause nervous system disturbances; Possible carcinogen and mutagen; Targets the liver and pancreas; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS] See Diazodinitrophenol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Regulatory information
Regulatory InformationAcetic acid, diazo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- rtecs
- AG5775000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29270000
- risk_code
- 5-10-22-40-67-65-48/20-38-11-63
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F
- safety_code
- 36/37-62-16
- hazard_class
- 3.2
- Storage Class
- 5.2 - Organic peroxides and self-reacting hazardous materials
- packing_group
- III
- Hazard statements
- H226-H302
- Limited Quantities
- 1.0 Kg (2.2 lbs)
- Excepted Quantities
- Not Permitted as Excepted Quantity
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 3Self-react. ESkin Irrit. 2
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P264-P270-P303+P361+P353-P370+P378-P301+P312-P330-P403+P235-P501
Chemistry & industry
Applications
UsesReagent for ruthenium-catalyzed asymmetric cyclopropanation of alkenes.1
UsesNew Diazoacetate Formulations
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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