기본 정보
- CAS
5791-00-4- 표준 SMILES
CC1Oc2ccc(Cl)cc2NC1=O- InChIKey
MGOCBXKZDZRPMK-UHFFFAOYSA-N- 분자식
- C9H8ClNO2
- 평균 분자량
- 197.62 g/mol
- 단동위원소 질량
- 197.0243562
이름 및 식별자
- 우선 이름
- 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
- IUPAC
- 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
- 영어명
- 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
- 분자식
- C9H8ClNO2
- 분자량
- 197.62
이름 및 동의어
5791-00-46-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-6-Chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-3-one4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-METHYL-RefChem:4841162H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-(9CI)809-335-46-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-oneMFCD017445016-CHLORO-2-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
이름 더 보기
2-Methyl-6-chloro-2H-1,4-benzooxazine-3(4H)-oneJRH-09903, 6-Chloro-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one, 97%
6-chloro-2-methyl-4H-1,4-benzoxazin-3-oneDTXSID70973499AS-80976-Chloro-2-methyl-2H-1,4-benzoxazin-3-olZ12702079482H-1,4-Benzoxazin-3(4H)-one,6-chloro-2-methyl-SCHEMBL5670852CHEMBL4559369
데이터베이스 식별자
- CAS
5791-00-4- PubChem CID
- 22035
- ChEMBL
CHEMBL4559369- EC Number
- 809-335-4
- Nikkaji
- J41.918D
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 222
물리화학적 성질
- 녹는점
- 172 to · 172.0 to 176.0 °C
- 끓는 점
- 356.9 · 356.9±42.0 °C(Predicted)
- 밀도
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.93 · 11.93±0.40(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- InChI
- 1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)
- InChIKey
- MGOCBXKZDZRPMK-UHFFFAOYSA-N
- SMILES
- Clc1cc2c(cc1)OC(C(=O)N2)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Aquatic Chronic 2 (97.4%)
안전 데이터
- wgk
- 3
- rtecs
- DM3750000
- ridadr
- UN 3077 9 / PGIII
- HS 번호
- 2934999090
- risk_code
- 22-51/53
- hazard_code
- Xn,N
- safety_code
- 60
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사35 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海班科生物技术有限公司2221346380 17701603001 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
上海书吉生物科技有限公司021-021-62200788 15000569291 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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