기본 정보
- 표준 SMILES
ClCCCCCl- InChIKey
KJDRSWPQXHESDQ-UHFFFAOYSA-N- 분자식
- C4H8Cl2
- 평균 분자량
- 127.01 g/mol
- 단동위원소 질량
- 126.00030562
개요
1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1,4-Dichlorobutane
- IUPAC
- 1,4-dichlorobutane
- 현지명
- 1,4-디클로로부탄
- 영어명
- 1,4-Dichlorobutane
- 분자식
- C4H8Cl2
- 분자량
- 127.01
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
110-56-5- PubChem CID
- 8059
- DTXSID
DTXSID5021918- UNII
- 8326YNM2B3
- EC Number
- 203-778-1
- Nikkaji
- J5.094F
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 17.5
실험 및 물리화학적 성질
Vapor Pressure
4 mmHg at 68 °F (NTP, 1992)
4.13 [mmHg]
Physical Description
1,4-dichlorobutane is a colorless mobile liquid with a mild pleasant odor. (NTP, 1992)
Colorless liquid with a mild pleasant odor; [CAMEO]
물리화학적 성질
- 녹는점
- -38 °C · -38 °C (lit.)
- 끓는 점
- 161 · 161-163 °C (lit.)
- 밀도
- 1.16 g/mL · 1.16 g/mL at 25 °C (lit.)
- 증기압
- 5 hPa · 5 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.454(lit.)
- 인화점
- 104 °F · 104 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2.4 g/L · 2.4g/L
- 물리적 상태
- 액체
- 색상
- 투명한
- 수소이온지수(pH)
- 7.3 · 7.3 (H2O, 20℃)
- 폭발한계
- 1.8 · 1.8-8.9%(V)
- 수용성
- 0.24 g/100mL · 0.24g/100mL(20℃)
- BRN
- 635673 · 635673
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 9.65 · 9.6500000000000004
- 안정성
- 안정적인. 가연성. 강염기, 강산화제와 호환되지 않습니다.
- InChI
- 1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2
- InChIKey
- KJDRSWPQXHESDQ-UHFFFAOYSA-N
- SMILES
- ClCCCCCl
- LogP
- 2.81 · 2.81
- NIST
- 1 · 1,4-Dichlorobutane(110-56-5)
- EPA
- 1 · 1,4-Dichlorobutane (110-56-5)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 224) of reports.
Warning
H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, 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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 224 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Butane, 1,4-dichloro-
Status: Active Update: 20-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19914
1,4-Dichlorobutane: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Halogenated aliphatic compounds, such as 1,4-DICHLOROBUTANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. This compound can react vigorously with oxidizing materials. (NTP, 1992)
안전 및 보호
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- 독성
- LD50 orally in Rabbit: 3420 mg/kg
- HS 번호
- 29031980
- risk_code
- 10-36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xi,T,F
- safety_code
- 26-36-45-36/37-16-7
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-10098
- 자연 발화 온도
- 220 °C
- Hazard Classifications
- Aquatic Chronic 3Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도Used in organic synthesis including adiponitrile. It is also used as an active pharmaceutical intermediate. 1,4-dichlorobutane (1,4-DCB) can be used as an organic solvent (O) for ion-transfer voltammetry at water (W) interface.
일반 설명Colorless mobile liquid with a mild pleasant odor.
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