Basic information
- CAS
1572-99-2- Standard SMILES
CCOC(=O)C(C)C#N- InChIKey
MIHRVXYXORIINI-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Overview
Ethyl 2-cyanopropionate is an ethyl ester and an alpha-substituted cyanoacetate ester.
Names & identifiers
- Preferred name
- Ethyl 2-cyanopropionate
- IUPAC
- ethyl 2-cyanopropanoate
- English name
- Ethyl 2-cyanopropanoate
- Molecular formula
- C6H9NO2
- Molecular weight
- 127.14
Names & synonyms
Ethyl 2-cyanopropanoate1572-99-2Ethyl 2-cyanopropionate2-Cyanopropionic acid ethyl esterPropanoic acid, 2-cyano-, ethyl ester2-cyanopropanoic acid ethyl esterEINECS 216-393-9AI3-05609CHEBI:51925NSC 68508RefChem:138597216-393-9
Show more names
Ethyl 2-Cyanopropionate >2-Cyanopropionic acid ethylCyanopropionicacidethylester2-CYANOPROPIONIC ACID ETHYL ESTER 95+%
MIHRVXYXORIINI-UHFFFAOYSA-NMFCD00013812ethyl-2-cyanopropionateethyl 2-cyano-2-methylacetateEthyl2-cyanopropanoateethyl 2 cyanopropionateEthyl 2-methylcyanoacetateethyl alpha-cyanopropionate
Database identifiers
- CAS
1572-99-2- PubChem CID
- 98018
- DTXSID
DTXSID401313963- ChEBI
CHEBI:51925- EC Number
- 216-393-9
- Nikkaji
- J80.238G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 193 °C · 193 °C
- Density
- 1 · 1,01 g/cm3
- refractive index
- 1.413 · 1.4130-1.4150
- Flash point
- 96 °C · 96°C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- InChI
- InChI=1S/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3
- InChIKey
- MIHRVXYXORIINI-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(C#N)C
- CAS DataBase Reference
- 1572 · 1572-99-2
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 23 · 23-36/37/39
- RIDADR
- 3276 · 3276
- HazardClass
- 6.1 · 6.1
- PackingGroup
- Ⅲ
- HS Code
- 29159000 · 29159000
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationEthyl 2-cyanopropionate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- 3276
- hs_code
- 29159000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- safety_code
- 23-36/37/39
- hazard_class
- 6.1
- packing_group
- Ⅲ
- Hazard statements
- H301-H315-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
Chemistry & industry
Applications
UsesEthyl 2-Cyanopropanoate is a building block used in many organic reactions such as the preparation of highly substituted benzenes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉欣扬瑞和化学科技有限公司13720181483 13720181483 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
Hangzhou Proserre Chemical Co.,Ltd.+86-571-86088112 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
Additional notes
DefinitionChEBI: Ethyl 2-cyanopropionate is an alpha-substituted cyanoacetate ester and an ethyl ester.
Related reactions
19 records
Compound notes
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