Basic information
- CAS
5843-42-5- Standard SMILES
COC(=O)N=C=O- InChIKey
YOVQDZPAVARTTR-UHFFFAOYSA-N- Molecular formula
- C3H3NO3
- Average molar mass
- 101.06 g/mol
- Monoisotopic mass
- 101.01129296
Names & identifiers
- Preferred name
- Methyl isocyanatoformate
- IUPAC
- methyl N-(oxomethylidene)carbamate
- English name
- Methyl isocyanatoformate
- Molecular formula
- C3H3NO3
- Molecular weight
- 101.06
Names & synonyms
Methyl isocyanatoformate5843-42-5DTXSID00400041RefChem:356679DTXCID20350897624-213-9Methyl N-(oxomethylidene)carbamatemethoxycarbonyl isocyanatemethyl N-carbonylcarbamateC3H3NO3Carbonisocyanatidic acid, methyl estermethoxycarbonylisocyanate
Show more names
1-isocyanatoethanoneCarbomethoxyisocyanatemethyl carbonisocyanatidoate
Methyl carbonisocyanatidateSCHEMBL471989Methyl isocyanatoformate, 90%YOVQDZPAVARTTR-UHFFFAOYSA-NHY-W178414DA-55399CS-0239518EN300-214304
Database identifiers
- CAS
5843-42-5- PubChem CID
- 4156749
- DTXSID
DTXSID00400041- EC Number
- 624-213-9
- Nikkaji
- J558.995I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 97 °C · 97 °C (lit.)
- Density
- 1.251 g/mL · 1.251 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.413(lit.)
- Flash point
- 87 °F · 87 °F
- storage temp.
- -20 °C · -20°C
- InChI
- 1S/C3H3NO3/c1-7-3(6)4-2-5/h1H3
- InChIKey
- YOVQDZPAVARTTR-UHFFFAOYSA-N
- SMILES
- COC(=O)N=C=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302+H312+H332-H315-H317-H319-H334-H335
- Precautionary statements
- 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-20/21/22-36/37/38-42
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 16-26-36/37
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H226-H302+H312+H332-H315-H317-H319-H334-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemistry & industry
Applications
UsesMethoxycarbonyl isocyanate can be used for compound synthesis[1].
General DescriptionMethyl isocyanatoformate, also known as methyl carbonisocyanatidate, is an organic building block containing an isocyanate group.
Suppliers11 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
重庆卡兰医药有限公司[email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
14 records
Compound notes
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