Basic information
- CAS
17639-93-9- Standard SMILES
COC(=O)C(C)Cl- InChIKey
JLEJCNOTNLZCHQ-UHFFFAOYSA-N- Molecular formula
- C4H7ClO2
- Average molar mass
- 122.55 g/mol
- Monoisotopic mass
- 122.01345714
Overview
Methyl 2-chloropropionate appears as a colorless liquid. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.
Names & identifiers
- Preferred name
- Methyl 2-chloropropionate
- IUPAC
- methyl 2-chloropropanoate
- English name
- Methyl 2-chloropropionate
- Molecular formula
- C4H7ClO2
- Molecular weight
- 122.55
Names & synonyms
METHYL 2-CHLOROPROPIONATEMethyl 2-chloropropanoate17639-93-9Propanoic acid, 2-chloro-, methyl esterPropionic acid, 2-chloro-, methyl esterMethyl alpha-chloropropionateFDN17EXK1JNSC-70983DTXSID60864786MecpaRefChem:157318DTXCID10813264
Show more names
Methyl 2-chloropropionate,96%Mehyl 2-chloropropionateMethyl 2-ChloropropionatCH3CHClC(O)OCH32-ChloropropionateMethyl 2-chloropropi2-chloropropyl MethylMethyl 2-chloropropion
2-chloropropionic acid, methyl esterMETHYL DL-ALPHA-CHLOROPROPIONATEalpha-chloropropionic acid, methyl esterMETHYL 2-CHLOROPROPANOATE, (A+-)-241-624-52-Chloropropionic acid methyl ester(+)-Methyl (R)-2-chloropropionateMFCD00000863
Database identifiers
- CAS
17639-93-9- PubChem CID
- 28659
- DTXSID
DTXSID60864786- UNII
- FDN17EXK1J
- EC Number
- 241-624-5
- Nikkaji
- J34.936D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
Physical DescriptionMethyl 2-chloropropionate appears as a colorless liquid. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.
Physicochemical properties
- Melting point
- -10 °C · -10 °C
- Boiling point
- 132 · 132-133 °C(lit.)
- Density
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- vapor density
- 4.22 · 4.22 (vs air)
- vapor pressure
- 5.25 mm · 5.25 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 101 °F · 101 °F
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- solubility
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- clear liquid
- Specific Gravity
- 1.075 · 1.075
- color
- Colorless to Almost colorless
- PH
- 6 · 6-7 (H2O, 20℃)
- explosive limit
- 2.8 · 2.8-13.9%(V)
- Water Solubility
- immiscible
- BRN
- 1421535 · 1421535
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
- InChIKey
- JLEJCNOTNLZCHQ-UHFFFAOYSA-N
- SMILES
- ClC(C)C(=O)OC
- CAS DataBase Reference
- 17639 · 17639-93-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 17 EXK1J · FDN17EXK1J
- NIST Chemistry Reference
- 2 · Methyl 2-chloropropionate(17639-93-9)
- EPA Substance Registry System
- 2 · Propanoic acid, 2-chloro-, methyl ester (17639-93-9)
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36-37/39-16
- RIDADR
- 2933 · UN 2933
- WGK Germany
- 1 · 1
- RTECS
- 9100000 · UE9100000
- Autoignition Temperature
- 430 °C · 430 °C DIN 51794
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29159080 · 29159080
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Propanoic acid, 2-chloro-, methyl ester
Status: Active Update: 09-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5504
Methyl 2-chloropropionate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide2933 129
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
METHYL 2-CHLOROPROPIONATE is a halogenated ester. Reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Reacts exothermically with bases. Flammable hydrogen is generated with alkali metals and hydrides.
DOT Hazard Classification
Methyl 2-chloropropionate
UN2933
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsFlammable. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Flammable agents - 3rd degree
Safety & protection
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UE9100000
- ridadr
- UN 2933
- hs_code
- 29159080
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Autoignition Temperature
- 430 °C DIN 51794
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-chloro-, methyl ester: ACTIVE
Applications
UsesMethyl 2-chloropropionate is used as initiator during the synthesis of acrylamide homopolymers and acrylamide-N-isopropylacrylamide block copolymers. It is also used to produce 2-thiophen-2-yl-propionic acid methyl ester.
General DescriptionA colorless liquid. Flash point 101°F. Density 8.9 lb / gal. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
淄博创谷化工科技有限公司00-15864498288 15864498288 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
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]
Hebei Henghe Import and Export Trading Co. LTD+8618032935937 18032916000 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [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]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
宁波台康化工有限公司0574-87365517 18074210286 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
Related reactions
48 records
Compound notes
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