기본 정보
- CAS
22426-14-8- 표준 SMILES
Brc1ccc2ccc3cccnc3c2n1- InChIKey
ZRJUDAZGVGIDLP-UHFFFAOYSA-N- 분자식
- C12H7BrN2
- 평균 분자량
- 259.1 g/mol
- 단동위원소 질량
- 257.97926
이름 및 식별자
- 우선 이름
- 2-Bromo-1,10-phenanthroline
- IUPAC
- 2-bromo-1,10-phenanthroline
- 현지명
- 2-브로모-1,10-페난트롤린
- 영어명
- 2-Bromo-1,10-phenanthroline
- 분자식
- C12H7BrN2
- 분자량
- 259.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
22426-14-8- PubChem CID
- 12830247
- DTXSID
DTXSID401310088- EC Number
- 607-070-7
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 234
물리화학적 성질
- 녹는점
- 161 to · 161.0 to 165.0 °C
- 끓는 점
- 414.3 · 414.3±25.0 °C(Predicted)
- 밀도
- 1.616 · 1.616
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 4.2 · 4.20±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- White to Light yellow to Light orange
- InChI
- InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
- InChIKey
- ZRJUDAZGVGIDLP-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C3C=2N=CC=C3)C=CC=1Br
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (25%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (75%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (75%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, 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 4 reports by companies from 4 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
- WGK 3
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- HS 번호
- 29339900
- risk_code
- 41
- safety_code
- 26-39
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Brominated phenanthroline can be synthesized via a method reported by Baran and coworkers using a two-step protocol through N-Oxide formation using m-CBPA (Aldrich 273031) and bromination using TBAB (Sigma-Aldrich 426288) and p-Toluenesulfonic anhydride (Aldrich 259764).
상·하류 제품 정보
상류 원료
공급사100 곳
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