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1,2-Dichlorobutane

HCID 12017
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
616-21-7
Standard SMILES
CCC(Cl)CCl
InChIKey
PQBOTZNYFQWRHU-UHFFFAOYSA-N
Molecular formula
C4H8Cl2
Average molar mass
127.01 g/mol
Monoisotopic mass
126.0003056

Names & identifiers

Preferred name
1,2-Dichlorobutane
IUPAC
1,2-dichlorobutane
English name
1,2-Dichlorobutane
Molecular formula
C4H8Cl2
Molecular weight
127.01

Names & synonyms

1,2-DICHLOROBUTANEButane, 1,2-dichloro-HSDB 5717EINECS 210-469-5NSC 938801,2-Butylene chlorideDTXSID8027244UNII-45N8M9T96745N8M9T967PQBOTZNYFQWRHU-UHFFFAOYSA-NSC-93880DL-1,2-DICHLOROBUTANE
Show more names
1,2-dichloro-butanα-Butylene chloridebutane,1,2-dichloro-1,2-Dichloro-n-butane1,2-Dichlorobutane,98%1,2-Dichlorobutane >1,2-Dichlorobutane, 97+%
DTXCID9072441,2-DICHLOROBUTANE [HSDB]Butane, 1,2dichloroRefChem:71860(+-)-1,2-DICHLOROBUTANE210-469-5InChI=1/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3PQBOTZNYFQWRHU-UHFFFAOYSA-N

Database identifiers

CAS
616-21-7
PubChem CID
12017
DTXSID
DTXSID8027244
ChEMBL
CHEMBL3181977
UNII
45N8M9T967
EC Number
210-469-5
Nikkaji
J490A

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
6
Formal charge
0
Complexity
28.7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Density1.1116 @ 25 °C/4 °C
SolubilityInsoluble in water; soluble in ether, chloroform and carbon tetrachloride.
Boiling Point124.1 °C
Vapor Density4.38 (AIR= 1)
Vapor Pressure · 2 items

20.9 [mmHg]

20.9 mm Hg @ 25 °C

Refractive IndexIndex of refraction: 1.4450 @ 20 °C
Physical DescriptionColorless liquid; [MSDSonline]
Autoignition Temperature527 °F (275 °C)
Other Experimental Properties

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 · 5 items

This chemical does not meet GHS hazard criteria for 2% (3 of 151) of reports.

Warning

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 151 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Butane, 1,2-dichloro-
Hazards SummaryA skin, eye, and respiratory tract irritant; Exposure to high vapor concentrations can cause CNS depression, cardiac dysrhythmias, and liver injury; [HSDB]
TSCA Requirements · 2 items

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,2-Dichlorobutane is included on this list.

NFPA Hazard Classification · 3 items

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButane, 1,2-dichloro-: ACTIVE

Applications

Uses1,2-Dichlorobutane was used to evaluate temperature-composition phase diagrams of binary mixtures composed of a haloalkane dissolved in either 1-ethyl-3-methylimidazolium ethylsulfate or 1-ethyl-3-methylimidazolium ethylsulfonate.

General Description1,2-Dichlorobutane causes the alkylation of benzene using aluminium chloride or liquid hydrogen fluoride as catalyst.

Suppliers46 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]

Related reactions

1 records
New reaction record
HRID 596269 reaction equation
HRID 596269As reactantuspto-grants-1977_03

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
VAPOR PRESSURE: 1 MM HG @ -23.6 °C

Physicochemical properties

Melting point
-70.34 °C · -70.34°C (estimate)
Boiling point
125 °C · 125 °C (lit.)
Density
1.112 g/mL · 1.112 g/mL at 25 °C (lit.)
vapor pressure
28 mm · 28 mm Hg ( 32 °C)
refractive index
20 · n20/D 1.445(lit.)
Flash point
80 °F · 80 °F
form
clear liquid
color
Colorless to Light yellow
explosive limit
2.25 · 2.25-9.25%, 20°F
BRN
1731376 · 1731376
InChI
1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3
InChIKey
PQBOTZNYFQWRHU-UHFFFAOYSA-N
SMILES
CCC(Cl)CCl
CAS DataBase Reference
616 · 616-21-7(CAS DataBase Reference)
FDA UNII
45 N8M9T967 · 45N8M9T967
EPA Substance Registry System
1 · 1,2-Dichlorobutane (616-21-7)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Warning
Hazard statements
226 · H226-H315-H319-H335
Precautionary statements
210 · P210-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xi
Risk Statements
10 · 10-36/37/38
Safety Statements
9 · 9-16-23-26-33-36/37/39
RIDADR
1993 · UN 1993 3/PG 3
WGK Germany
3 · 3
Autoignition Temperature
529 °F · 529 °F
TSCA
TSCA listed
HS Code
2903.19 · 2903.19.6050
HazardClass
3 · 3
PackingGroup
III
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Hazardous Substances Data
616 · 616-21-7(Hazardous Substances Data)

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and CategoriesFlam. Liq. 3 (98%)

Safety & protection

Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome
Human Toxicity Excerpts · 1 item

Symptomatology: 1A) Inhalation, high vapor concn: gasping, refusal to breathe, coughing, substernal pain, & extreme respiratory distress at vapor concn over 1500 ppm. Irritation of eyes & upper respiratory mucosa appears promptly after exposure to concentrated vapors. Lacrimation & headache are prominent. Coma may occur rapidly. B) Inhalation, low vapor concn: central nervous depression & moderate irritation of respiratory system. Headache is frequent. 2) Dermal: severe skin irritation with marked inflammatory response of epidermis & underlying tissues. 3) Oral: acute gastrointestinal distress with pulmonary congestion & edema. Central nervous depression, perhaps even in the absence of impaired oxygen uptake. 4) By any route, possible late injuries to liver, kidneys & heart. 5) After inhalation exposures, malaise, headache, chest & abdominal discomfort & irritability have been reported to persist for several weeks & perhaps for several years.

Antidote and Emergency Treatment · 1 item

Stabilization: Treatment is largely supportive. Watch for respiratory depression & arrhythmias. Obtain arterial blood gases. Administer oxygen if there is evidence of altered mental status or dyspnea. Treat hypotension with volume expansion & vasopression. Use lidocaine or beta-blockers for ventricular arrhythmias. Skin: Remove contaminated clothing. Wash affected area with soap & copious amounts or water. Eye: Irrigate the eye for 15-20 min. Obtain a consultation if symptoms persist. Oral: Most of the halogenated solvents ingested in quantities of 1-2 swallows may be partially removed by ipecac-induced emesis if admin within a few hr to a patient who has not lost the gag reflex, is not seizing, is not markedly lethargic, or is not in coma. Observe the patient in the upright position to lessen the possibility of aspiration. Activated charcoal is probably ineffective. Inhalation: Move from the contaminated area. Provide a source of oxygen & prepare for mechanical ventilation. If the patient is unconscious & the pulse is absent, initiate CPR measures. Enhancement of Elimination: Maintain good ventilation. Hemodialysis or hemoperfusion are not likely to be useful because of the high lipophilic properties of these solvents. Antidote: N-acetylcysteine may restore depleted glutathione stores, but no adequate clinical studies are available to validate this possible treatment. Supportive Care: Watch for cardiac dysrhythmias, aspiration pneumonitis, hepatotoxicity, & hypoxic encephalopathy. Monitor for arrhythmia for at least 24 hr & for hepatorenal failure for about 3 days. Obtain a chest x-ray, arterial blood gas, EKG, serum creatinine, & hepatic aminotransferase. Check electrolyte imbalance daily. Treat renal failure with dialysis & hepatic failure with fresh frozen plasma, vitamin K, a low-protein diet, neomycin, & lactulose. Watch fluid & electrolyte balance. /Halogenated hydrocarbons/

Regulatory information

TSCA Requirements · 2 items

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.

Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,2-Dichlorobutane is included on this list.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
2903.19.6050
risk_code
10-36/37/38
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
hazard_code
Xi
safety_code
9-16-23-26-33-36/37/39
hazard_class
3
Storage Class
3 - Flammable liquids
packing_group
III
target organs
Respiratory system
Hazard statements
H226-H315-H319-H335
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Autoignition Temperature
529 °F
Precautionary statements
P210-P302+P352-P305+P351+P338
Hazardous Substances Data
616-21-7(Hazardous Substances Data)
湖北成海化工有限公司
027-59220433 18327245847 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [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]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
安那莱(齐河)新材料科技有限公司18600642180(微信同) 13391601435 · [email protected]
科瑞希(天津)新材料技术有限公司022-83945173 18622315263 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
天津易创成医药技术有限公司022-83946278 13820372920 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]