5-아세틸살리실아미드

5-Acetylsalicylamide

HCID 198212

기본 정보

CAS
40187-51-7
표준 SMILES
CC(=O)c1ccc(O)c(C(N)=O)c1
InChIKey
LWAQTCWTCCNHJR-UHFFFAOYSA-N
분자식
C9H9NO3
평균 분자량
179.17 g/mol
단동위원소 질량
179.05824315

이름 및 식별자

우선 이름
5-Acetylsalicylamide
IUPAC
5-acetyl-2-hydroxybenzamide
현지명
5-아세틸살리실아미드
영어명
5-Acetylsalicylamide
분자식
C9H9NO3
분자량
179.17

이름 및 동의어

5-Acetylsalicylamide5-Acetyl-2-hydroxybenzamideDTXSID2057736DTXCID3031525RefChem:531912254-830-540187-51-7Benzamide, 5-acetyl-2-hydroxy-5-Acetyl-2-hydroxy-benzamideMFCD00049222BRN 3258263AKOS005721143
이름 더 보기
5-아세틸살리실아미드5-AcetylLABEIM-IJACS-40187-51-75-Acetylsalicyamide5-Acetosalicylamide5-Acetylsalicylamid5 cetylsalicylamideAliskiren Impurity 59Labetalol Impurity 22
NCGC00253716-01DS-10628A1156F13775BRD-K97742629-001-01-5SR-01000944780-15-Acetyl salicylamideLabetalol Impurity 12

데이터베이스 식별자

CAS
40187-51-7
PubChem CID
198212
DTXSID
DTXSID2057736
ChEMBL
CHEMBL3186004
UNII
52XZM63LL4
EC Number
254-830-5
Nikkaji
J236.322D

물성

구조 계산 물성

XLogP
1.6
극성 표면적
80.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
220 · 220-222 °C(lit.)
끓는 점
311.69 °C · 311.69°C (rough estimate)
밀도
1.2822 · 1.2822 (rough estimate)
굴절률
1.56 · 1.5600 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

cream to beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (83%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (83%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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

Regulatory InformationStatus: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27472
Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (83%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (83%);STOT SE 3 (97.9%)

규제 정보

Regulatory InformationStatus: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27472

안전 데이터

wgk
3
rtecs
CU8702280
HS 번호
2924.29.7790
risk_code
20/21/22-36/37/38-22
hazard_code
Xn
safety_code
26-36-37/39

화학 및 산업

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

관련 반응

7건

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