기본 정보
- CAS
13037-60-0- 표준 SMILES
S=C=Nc1ccccc1Br- InChIKey
PAFORXDSYWMYGP-UHFFFAOYSA-N- 분자식
- C7H4BrNS
- 평균 분자량
- 214.08 g/mol
- 단동위원소 질량
- 212.92478
이름 및 식별자
- 우선 이름
- 1-Bromo-2-isothiocyanatobenzene
- IUPAC
- 1-bromo-2-isothiocyanatobenzene
- 현지명
- 브로모이소티오시아나토벤젠
- 영어명
- bromoisothiocyanatobenzene
- 분자식
- C7H4BrNS
- 분자량
- 214.08236
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
13037-60-0、64217-61-4- PubChem CID
- 611654
- DTXSID
DTXSID00156495- EC Number
- 264-732-4、626-134-5
- Nikkaji
- J1.470.910J
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 44.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 154
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (12.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (87.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (87.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (91.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (87.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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.
유해성 정보
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