2H-1,3-Benzoxazine-2,4(3H)-dione (HCID 16258)

이름 및 식별자

우선 이름: 2H-1,3-Benzoxazine-2,4(3H)-dione
IUPAC: 1,3-benzoxazine-2,4-dione
현지명: 2H-1,3-벤족사진-2,4(3H)-디온
영어명: 2H-1,3-Benzoxazine-2,4(3H)-dione
분자식: C8H5NO3
분자량: 163.13

이름 및 동의어

Carsalam2037-95-82H-1,3-BENZOXAZINE-2,4(3H)-DIONE1,3-Benzoxazine-2,4-dioneCarsalamumDTXSID3046584NSC-36166685H843ULUDTXCID1026584RefChem:574734606-541-42H-Benzo[e][1,3]oxazine-2,4(3H)-dione

이름 더 보기

2H-1,3-벤족사진-2,4(3H)-디온CasalenCaxaranKasaronCacharonCarsalameTwo ketone

BeaprineRuhmalMFCD006005663,4-dihydro-2H-1,3-benzoxazine-2,4-dioneOxophenhydroxazineNCGC00166265-01OxobenzhydroxazinOxophenhydroxazin

데이터베이스 식별자

CAS: 2037-95-8
PubChem CID: 16258
DTXSID: DTXSID3046584
ChEMBL: CHEMBL1720051
ChEBI: CHEBI:134794
UNII: 685H843ULU
EC Number: 606-541-4
Nikkaji: J7.854I

물성

구조 계산 물성

XLogP: 1
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 226

실험 및 물리화학적 성질

Collision Cross Section127.67 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점: 228 · 228-232 °C(lit.)
밀도: 1.402 · 1.402±0.06 g/cm3(Predicted)
증기압: 0.73 · 0.73-1.27Pa at 89.94-107.94℃
저장 조건: Sealed in dry,Room Temperature
용해도: 40 mg/mL · DMSO : ≥ 40 mg/mL (245.20 mM)
물리적 상태: 고체
산도 계수 (pKa): 9.16 · 9.16±0.20(Predicted)
색상: White to off-white
Merck: 13 · 13,1879
InChI: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey: OAYRYNVEFFWSHK-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2C(=O)NC1=O
LogP: 0.78 · 0.78-0.88 at 20℃

화학적 성질

Off-white to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.；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 InformationStatus: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24953；Status: Active Update: 07-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32059

Hazard Classes and CategoriesAcute Tox. 4 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24953；Status: Active Update: 07-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32059

안전 데이터

wgk: 3
rtecs: DM3110000
HS 번호: 2934999090
risk_code: 22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도analgesic

일반 설명Kinetic studies of the alkaline hydrolysis of 2H-1,3-benzoxazine-2,4(3H)-dione (carsalam) were conducted and reaction was found to be of fractional order with respect to [OH-].

상·하류 제품 정보

상류 원료

2H-1,3-Benzoxazin-2-one, 4-[(4-methylphenyl)amino]-클로로포름산에틸 carbon monoxide 2-요오드페놀 1,1′-카보닐디이미다졸 디에틸 카보네이트 살리실아마이드 포스겐 시안산칼륨 염화옥살릴

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

불러오는 중…

2H-1,3-벤족사진-2,4(3H)-디온

기본 정보