기본 정보
- CAS
30273-42-8- 표준 SMILES
Cc1cc(Br)cc(Cl)c1N- InChIKey
DIXGIKZIIZRFKE-UHFFFAOYSA-N- 분자식
- C7H7BrClN
- 평균 분자량
- 220.49 g/mol
- 단동위원소 질량
- 218.94504
이름 및 식별자
- 우선 이름
- 4-Bromo-2-chloro-6-methylaniline
- IUPAC
- 4-bromo-2-chloro-6-methylaniline
- 현지명
- 4-브로모-2-클로로-6-메틸아닐린
- 영어명
- 4-Bromo-2-chloro-6-methylaniline
- 분자식
- C7H7BrClN
- 분자량
- 220.49
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
30273-42-8- PubChem CID
- 2769626
- DTXSID
DTXSID60377801- EC Number
- 627-699-0
- Nikkaji
- J307.825F
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 120
물리화학적 성질
- 녹는점
- 38 · 38-42 °C(lit.)
- 끓는 점
- 261.8 · 261.8±35.0 °C(Predicted)
- 밀도
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 1.8 · 1.80±0.10(Predicted)
- BRN
- 2717133 · 2717133
- InChI
- 1S/C7H7BrClN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3
- InChIKey
- DIXGIKZIIZRFKE-UHFFFAOYSA-N
- SMILES
- Cc1cc(Br)cc(Cl)c1N
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (13%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (84.8%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (84.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (13%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 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.
유해성 정보
안전 데이터
- wgk
- 3
- ridadr
- UN2811
- risk_code
- 36/37/38-42/43
- hazard_code
- Xn
- safety_code
- 26-36/37-45
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사60 곳
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