기본 정보
- 표준 SMILES
BrC/C=C/CBr- InChIKey
RMXLHIUHKIVPAB-OWOJBTEDSA-N- 분자식
- C4H6Br2
- 평균 분자량
- 213.9 g/mol
- 단동위원소 질량
- 211.88362439
개요
Crystals or white crystalline solid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- trans-1,4-Dibromo-2-butene
- IUPAC
- (E)-1,4-dibromobut-2-ene
- 현지명
- (E) -1,4- 디브로모부 -2- 엔
- 영어명
- (E)-1,4-Dibromobut-2-ene
- 분자식
- C4H6Br2
- 분자량
- 213.9
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
6974-12-5、821-06-7- PubChem CID
- 641245
- DTXSID
DTXSID8024941- ChEMBL
CHEMBL1324439- EC Number
- 212-472-7、230-219-9
- Nikkaji
- J55.489H、J7.120J
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
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 34.8
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 48 · 48-51 °C(lit.)
- 끓는 점
- 205 °C · 205 °C(lit.)
- 밀도
- 1.9393 · 1.9393 (estimate)
- 굴절률
- 1.5361 · 1.5361 (estimate)
- 인화점
- 113 °C · 113°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 결정 또는 결정성 분말
- 색상
- 무색 ~ 약간 갈색
- 수용성
- 약간 용해됨
- BRN
- 1719696 · 1719696
- 안정성
- 감광성
- InChI
- 1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
- InChIKey
- RMXLHIUHKIVPAB-OWOJBTEDSA-N
- SMILES
- BrC\C=C\CBr
- NIST
- 2 · 2-Butene, 1,4-dibromo-, (E)-(821-06-7)
- EPA
- 2 · 2-Butene, 1,4-dibromo-, (2E)- (821-06-7)
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (99.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Cease Manufacture Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13126
2-Butene, 1,4-dibromo-, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include corrosion, vesication and extreme destruction of tissue of the mucous membranes and upper respiratory tract, eyes and skin. Lacrimation may occur. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. Blisters may result from skin contact.
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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a 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.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EM4725000
- ridadr
- UN 2923 8/PG 2
- HS 번호
- 29033990
- risk_code
- 25-34-23/25
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-28A
- 포장분류
- III
- 위험 등급
- 6.1(b)
- F 고인화성물질
- 8-19
- 위험 참고 사항
- Toxic/Corrosive
- Hazard Classifications
- Acute Tox. 3 OralSkin Corr. 1B
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도(2E)-1,4-Dibromo-2-butene, is used as a reagent in the preparation of diaminoalkenes though copper-mediated diamination reaction.
일반 설명Crystals or white crystalline solid.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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