기본 정보
- 표준 SMILES
NN=C(c1ccccc1)c1ccccc1- InChIKey
QYCSNMDOZNUZIT-UHFFFAOYSA-N- 분자식
- C13H12N2
- 평균 분자량
- 196.25 g/mol
- 단동위원소 질량
- 196.10004839
이름 및 식별자
- 우선 이름
- Diphenylmethylidenehydrazine
- IUPAC
- benzhydrylidenehydrazine
- 현지명
- 벤조페논히드라존
- 영어명
- Benzophenone hydrazone
- 분자식
- C13H12N2
- 분자량
- 196.25
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5350-57-2- PubChem CID
- 79304
- DTXSID
DTXSID6063806- ChEMBL
CHEMBL1881268- UNII
- S2WWI81YAL
- EC Number
- 226-321-8
- Nikkaji
- J1.834A
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 38.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 191
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 95 · 95-98 °C (lit.)
- 끓는 점
- 225 · 225-230 °C/55 mmHg (lit.)
- 밀도
- 1.1 · 1.1
- 굴절률
- 1.5014 · 1.5014 (estimate)
- 인화점
- 146 °C · 146°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 에테르, 벤젠, 클로로포름 및 기타 유기 용매에 용해됩니다.
- 산도 계수 (pKa)
- 1.44 · 1.44±0.70(Predicted)
- 물리적 상태
- 수정 바늘 또는 수정 가루
- 색상
- 흰색에서 노란색으로
- BRN
- 1910177 · 1910177
- InChI
- 1S/C13H12N2/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14H2
- InChIKey
- QYCSNMDOZNUZIT-UHFFFAOYSA-N
- SMILES
- N\N=C(/c1ccccc1)c2ccccc2
- NIST
- Methanone, diphenyl-, hydrazone(5350-57-2)
- EPA
- Methanone, diphenyl-, hydrazone (5350-57-2)
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.
Danger
H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (80%): May cause an allergic skin reaction [Warning Sensitization, Skin];H401 (10%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard];H411 (80%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 5 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 10 reports by companies.;There are 4 notifications provided by 9 of 10 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
Regulatory Information
Chemical: Methanone, diphenyl-, hydrazone
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21208
Benzophenone hydrazone: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Methanone, diphenyl-, hydrazone
Status: Active Update: 06-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/21208
Benzophenone hydrazone: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PC4954487
- HS 번호
- 29280090
- 기존화학 물질
- KE-05-0186
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 벤조페논 히드라존 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2003-1-543
화학 및 산업
용도 및 제조
응용 분야
용도An important compound in organic photochemistry and perfumery as well as in organic synthesis. Used in the antibiotics synthesis of 6-APA and 7-ACA of the carboxyl protecting groups and other organic compounds. Used as organic pigment and medical intermediate. It is used as a photoinitiator of UV-curing applications in inks, adhesive, coatings and optical fiber.
상·하류 제품 정보
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