기본 정보
- 표준 SMILES
O=C(C1COc2ccccc2O1)N1CCNCC1- InChIKey
FLUPDJNTYCSBJZ-UHFFFAOYSA-N- 분자식
- C13H16N2O3
- 평균 분자량
- 248.28 g/mol
- 단동위원소 질량
- 248.11609238
이름 및 식별자
- 우선 이름
- N-1,4-Benzodioxane-2-carbonyl piperazine
- IUPAC
- 2,3-dihydro-1,4-benzodioxin-3-yl(piperazin-1-yl)methanone
- 현지명
- 1-(1,4-벤조디옥산-2-카르보닐)피페라진
- 영어명
- 1-(1,4-Benzodioxane-2-carbonyl)piperazine
- 분자식
- C13H16N2O3
- 분자량
- 248.28
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
70918-00-2- PubChem CID
- 2735449
- UNII
- 53FEH46OYE
- EC Number
- 700-374-1
- Nikkaji
- J1.082.664K
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 50.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 305
물리화학적 성질
- 녹는점
- 103 to · 103.0 to 107.0 °C
- 끓는 점
- 437.2 · 437.2±45.0 °C(Predicted)
- 밀도
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- 용해도
- 메탄올에 용해됨
- 산도 계수 (pKa)
- 8.32 · 8.32±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 밝은 노란색
화학적 성질
White or light brown powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (1 of 14) of reports.
Danger
H301 (64.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (64.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (64.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (21.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (64.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (64.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 14 reports by companies.;There are 5 notifications provided by 13 of 14 reports by companies with hazard statement code(s).;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
규제 정보
안전 데이터
- HS 번호
- 2933.59.9500
- risk_code
- 23/24/25-48/22-51/53
- hazard_code
- Xi,N,T
- safety_code
- 53-45-61
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
하류 제품
공급사50 곳
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연결된 노트
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