4-bromo-N,N-dimethylaniline (HCID 11465)

이름 및 식별자

우선 이름: 4-bromo-N,N-dimethylaniline
IUPAC: 4-bromo-N,N-dimethylaniline
영어명: 4-Bromo-N,N-dimethylaniline
분자식: C8H10BrN
분자량: 200.08

이름 및 동의어

4-Bromo-N,N-dimethylaniline586-77-6p-Bromo-N,N-dimethylaniline4-DimethylaminobromobenzeneBenzenamine, 4-bromo-N,N-dimethyl-N,N-Dimethyl-4-bromoaniline1-Bromo-4-(dimethylamino)benzenep-Dimethylaminobromobenzenep-(Dimethylamino)phenyl bromidep-Bromo(dimethylamino)benzeneANILINE, 4-BROMO-N,N-DIMETHYL-p-N,N-Dimethylaminobromobenzene

이름 더 보기

N-diMethylanilinep-Br-DMA4-BroMo-N4-(Dimethylami4-Bromo-N,N-dimethylBROMODIMETHYLANILINEUlipristal Impurity 144-bromo-dimethylanilineN, N-diMethyl-broMoaniline

4-(Dimethylamino)phenyl bromideAniline, p-bromo-N,N-dimethyl-NSC 8056EINECS 209-582-2N,NDimethylpbromoanilinepBromoN,NdimethylanilineN,NDimethyl4bromoanilinepDimethylaminobromobenzene

데이터베이스 식별자

CAS: 586-77-6
PubChem CID: 11465
DTXSID: DTXSID2060414
ChEMBL: CHEMBL3098160
UNII: K49ZS2E9KX
EC Number: 209-582-2
Nikkaji: J55.361A

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

실험 및 물리화학적 성질

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 52 · 52-54 °C (lit.)
끓는 점: 264 °C · 264 °C (lit.)
밀도: 1.322 · 1.3220
굴절률: 1.5748 · 1.5748 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 결정질 고체
산도 계수 (pKa): 4.23 · 4.23(at 25℃)
색상: 흰색에서 회색 또는 연한 파란색
수용성: 메탄올에 용해됩니다. 물에 불용성.
BRN: 2206155 · 2206155
안정성: 안정적인. 산화제, 산, 금속과 호환되지 않습니다.
InChI: 1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey: XYZWMVYYUIMRIZ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(Br)cc1
NIST: 4 · 4-Bromo-N,N-dimethylaniline(586-77-6)
EPA: N,N-Dimethyl-p-bromoaniline (586-77-6)

화학적 성질

white to light grey powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 64 reports by companies from 8 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 Information · 2건

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 4-Chloroaniline and 4-Bromoaniline.

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)；Acute Tox. 4 (96.9%)；Skin Irrit. 2 (98.4%)；Eye Irrit. 2 (98.4%)；Acute Tox. 4 (96.9%)

독성 정보

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

규제 정보

Regulatory Information · 2건

Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20096

Benzenamine, 4-bromo-N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: BW9300000
ridadr: 2811
HS 번호: 29214290
risk_code: 20/21/22-36/38-33-22
hazard_code: Xn,Xi
safety_code: 26-36-45-37-28A
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-bromo-N,N-dimethyl-: ACTIVE

응용 분야

용도4-Bromo-N,N-dimethylaniline is used as an internal standard in the determination of iodine present as iodide (as in pharmaceuticals), iodate (as in iodized table salt) and covalently bound to organic compounds (as in milk and vegetables).