4-(디메틸아미노)페놀

4-(Dimethylamino)phenol

HCID 22174

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 619-60-3
표준 SMILES: CN(C)c1ccc(O)cc1
InChIKey: JVVRCYWZTJLJSG-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 4-(Dimethylamino)phenol
IUPAC: 4-(dimethylamino)phenol
현지명: 4-(디메틸아미노)페놀
영어명: 4-(dimethylamino)phenol
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

4-(Dimethylamino)phenol619-60-34-DimethylaminophenolPhenol, 4-(dimethylamino)-N,N-Dimethyl-4-aminophenolDMAP (antidote)N,N-Dimethyl-p-hydroxyanilinePhenol, p-(dimethylamino)-X387L5559ODTXSID70210932RefChem:98774DTXCID00133423

이름 더 보기

4-(디메틸아미노)페놀4-(dimethylamino)phenoNeostigmine Impurity 44-N,N-DIMETHYLAMINOPHENOLPhenol,4-(diMethylaMino)-

210-604-8p-(Dimethylamino)phenolMFCD01707548p-dimethylaminophenolp-Hydroxy-N,N-dimethylaniline4-Dimethylamino-phenolNeostigmine Impurity 6EINECS 210-604-8

데이터베이스 식별자

CAS: 619-60-3
PubChem CID: 22174
DTXSID: DTXSID70210932
ChEMBL: CHEMBL3707216
ChEBI: CHEBI:135941
UNII: X387L5559O
EC Number: 210-604-8
Nikkaji: J135.646A

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

물리화학적 성질

녹는점: 138 · 138-141℃
끓는 점: 260 ℃ · 260℃
밀도: 1.089 · 1.089
굴절률: 1.556 · 1.5560 (estimate)
인화점: 136 ℃ · 136℃
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 10.11 · 10.11±0.13(Predicted)
색상: 회백색
InChI: InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
InChIKey: JVVRCYWZTJLJSG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(N(C)C)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 9 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

Hazard Classes and CategoriesAcute Tox. 4 (77.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (11.1%)；STOT SE 3 (100%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

rtecs: US9230000
ridadr: UN2928
HS 번호: 2921490090
위험 등급: 6.1, 8

화학 및 산업

약리 정보

ATC Code · 2건

V - Various；V03 - All other therapeutic products；V03A - All other therapeutic products；V03AB - Antidotes；V03AB27 - 4-dimethylaminophenol

QV - Various；QV03 - All other therapeutic products；QV03A - All other therapeutic products；QV03AB - Antidotes；QV03AB27 - 4-dimethylaminophenol

MeSH Pharmacological ClassificationAgents counteracting or neutralizing the action of POISONS.

용도 및 제조

UsesUsed in Germany as an antidote to induce methemoglobinemia in cases of cyanide poisoning; [Olson, p. 700]

상·하류 제품 정보

상류 원료

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

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