Basic information
- CAS
78-86-4- Standard SMILES
CCC(C)Cl- InChIKey
BSPCSKHALVHRSR-UHFFFAOYSA-N- Molecular formula
- C4H9Cl
- Average molar mass
- 92.57 g/mol
- Monoisotopic mass
- 92.039278
Names & identifiers
- Preferred name
- 2-Chlorobutane
- IUPAC
- 2-chlorobutane
- English name
- 2-Chlorobutane
- Molecular formula
- C4H9Cl
- Molecular weight
- 92.57
Names & synonyms
2-CHLOROBUTANE78-86-4sec-Butyl chlorideButane, 2-chloro-1-Methylpropyl chlorideDTXSID9023966AV999R2773DTXCID303966CHEBI:166855RefChem:86464201-151-72-Chloro-butane
Show more names
sec-C4H9Cl2-Chlorbutan2-chloro-butan2-ButylchlorideButane,2-chloro-chlorosec-butanes-Butyl Chloride(2RS)-chlorobutane
MFCD00000871(+/-)-2-Chlorobutane1-chloro-1-methylpropaneEINECS 201-151-7BRN 1718770CCRIS 9391UNII-AV999R2773sec.-butyl chloride
Database identifiers
- CAS
78-86-4- PubChem CID
- 6563
- DTXSID
DTXSID9023966- ChEMBL
CHEMBL346529- ChEBI
CHEBI:166855- UNII
- AV999R2773
- EC Number
- 201-151-7
- Nikkaji
- J1.485K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 19
Experimental & physicochemical properties
Density0.873 @25 °C
Boiling Point68.5 °C @760 [mm Hg]
Vapor Pressure157.0 [mmHg]
Physical Description
Liquid
dl-Form: Liquid with a pleasant odor; [Merck Index] Clear colorless liquid; [Aldrich MSDS]
Kovats Retention Index
598.38；598.87；598；601；601；601；601；600.4
611；589；582；586；588；591；599；609；616；589
Physicochemical properties
- Melting point
- -140 °C · -140 °C (lit.)
- Boiling point
- 68 · 68-70 °C (lit.)
- Density
- 0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
- vapor pressure
- 160 hPa · 160 hPa (20 °C)
- refractive index
- 20 · n20/D 1.396(lit.)
- Flash point
- 5 °F · 5 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 1 g/l · 1.0g/l
- form
- Liquid
- color
- Clear colorless to slightly yellow
- PH
- 7 · 7 (H2O, 20℃)Aqueous solution
- explosive limit
- 2 · 2.0-8.8%(V)
- Water Solubility
- immiscible
- Merck
- 14 · 14,1561
- BRN
- 1718770 · 1718770
- Henry's Law Constant
- 4.1 · 4.1×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 8.56 · 8.5600000000000005
- Stability
- Stable. Flammable - note low flash point. May form explosive mixtures with air. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3
- InChIKey
- BSPCSKHALVHRSR-UHFFFAOYSA-N
- SMILES
- CCC(C)Cl
- LogP
- 2.72 at · 2.72 at 25℃
- CAS DataBase Reference
- 78 · 78-86-4(CAS DataBase Reference)
- FDA UNII
- 999 R2773 · AV999R2773
- NIST Chemistry Reference
- 2 · Butane, 2-chloro-(78-86-4)
- EPA Substance Registry System
- 2 · 2-Chlorobutane (78-86-4)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F
- Risk Statements
- 11 · 11
- Safety Statements
- 16 · 16-29-7/9-9
- RIDADR
- 1127 · UN 1127 3/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 6475000 · EJ6475000
- Autoignition Temperature
- 460 °C · 460 °C
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29031980 · 29031980
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 · Flam. Liq. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 17400 mg/kg LD50 dermal Rabbit 17400 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H290 (62.6%): May be corrosive to metals [Warning Corrosive to Metals]；H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (62.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P234, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 reports by companies from 7 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 Information
Chemical: Butane, 2-chloro-
Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783
Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controls
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.)
Hazards SummaryMay cause irritation; [Aldrich MSDS] See 1,2-Dichlorobutane.
Hazard Classes and Categories
Flam. Liq. 2 (100%)；Met. Corr. 1 (62.6%)；Skin Irrit. 2 (11.8%)；Eye Irrit. 2 (11.8%)；STOT SE 3 (11.8%)；Aquatic Chronic 3 (62.6%)
Flammable agents - 3rd degree
Safety & protection
Protective Action Criteria (PAC)
5.2 [ppm]
57 [ppm]
340 [ppm]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
EPA IRIS Information2-Chlorobutane
Toxicity DataLCLo (rat) = 8,000 ppm/4hr
EPA Provisional Peer-Reviewed Toxicity Values
2-Chlorobutane
PDF Document
2005
Regulatory information
Regulatory Information
Chemical: Butane, 2-chloro-
Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783
Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controls
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.)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EJ6475000
- ridadr
- UN 1127 3/PG 2
- hs_code
- 29031980
- Toxicity
- LD50 orally in Rabbit: 17400 mg/kg LD50 dermal Rabbit 17400 mg/kg
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16-29-7/9-9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Flam. Liq. 2
- Autoignition Temperature
- 460 °C
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Uses & manufacturing
UsesUsed in organic synthesis; [Hawley]
U.S. Production2023: 75,000 - <500,000 lb；2022: 500,000 - <1,000,000 lb；2021: 500,000 - <1,000,000 lb；2020: 500,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing；All Other Basic Inorganic Chemical Manufacturing
Butane, 2-chloro-: ACTIVE
Applications
Uses2-Chlorobutane is used as a solvent and intermediate in organic synthesis. Further, it is involved in the preparation of active pharmaceutical ingredients, plasticizer, rubber, resin and surfactants.
Upstream & downstream products
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]
湖北成丰化工有限公司13125175253 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
常州市信友物资有限公司0519-88861658 15351933796 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东同成医药股份有限公司13721975233 · [email protected]
上海毕楷科技有限公司18516304666
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]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [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]
赛默飞世尔科技（中国）有限公司800-810-5118 · [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]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司021-61552785 · [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]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [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]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [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]
Additional notes
DefinitionChEBI: 2-chlorobutane is a chloroalkane that is butane which carries a chloro group at position 2. It derives from a hydride of a butane.
Related reactions
2 records
Compound notes
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