N,N-diethyl-m-toluidine (HCID 66679)

이름 및 식별자

우선 이름: N,N-diethyl-m-toluidine
IUPAC: N,N-diethyl-3-methylaniline
현지명: N,N-다이에틸-m-톨루이딘
영어명: N,N-Diethyl-m-toluidine
분자식: C11H17N
분자량: 163.26

이름 및 동의어

N,N-Diethyl-m-toluidine91-67-8Benzenamine, N,N-diethyl-3-methyl-3-(Diethylamino)tolueneDTXSID1052610m-Methyl(diethylamino)benzeneNSC-96629E5635R949A3-Methyl-N,N-diethylbenzenamineDTXCID5031183RefChem:161173CIPVVROJHKLHJI-UHFFFAOYSA-N

이름 더 보기

N,N-다이에틸-m-톨루이딘N,N-디에틸-3-톨루이딘N,N-디에틸-M-톨루이딘3-Methyl-N,N-diethylanilineDEMTdlethyl-toluidineN,N-Diethyl-m-toluidN,N-Diethyl-m-toluidinDiethy1 Meta ToluidineN,N-DIETHYL-3-TOLUIDINE

InChI=1/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3HN,N-Diethyl-3-methylaniline3-(Diethylamino)-1-methylbenzene3-(N,N-Diethylamino)toluene1-(Diethylamino)-3-methylbenzenem-Methyl-N,N-diethylanilineN,N-Diethyl-3-methylbenzenaminem-Toluidine, N,N-diethyl-

데이터베이스 식별자

CAS: 91-67-8
PubChem CID: 66679
DTXSID: DTXSID1052610
ChEMBL: CHEMBL3561120
UNII: E5635R949A
EC Number: 202-089-3
Nikkaji: J96.136A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 118

실험 및 물리화학적 성질

SpringerMaterials PropertiesViscosity

물리화학적 성질

녹는점: 46.25 °C · 46.25°C (estimate)
끓는 점: 97 °C · 97 °C (17 mmHg)
밀도: 0.92 · 0.92
굴절률: 1.535 · 1.535-1.537
인화점: 101 °C · 101 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 6.84 · 6.84±0.30(Predicted)
색상: Light orange to Yellow to Green
InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey: CIPVVROJHKLHJI-UHFFFAOYSA-N
SMILES: C1(N(CC)CC)=CC=CC(C)=C1
NIST: -3 · Benzenamine, N,N-diethyl-3-methyl-(91-67-8)
EPA: -3 · Benzenamine, N,N-diethyl-3-methyl- (91-67-8)

화학적 성질

CLEAR PALE YELLOW TO ORANGE-BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 121 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenamine, N,N-diethyl-3-methyl-

Status: Cease Manufacture Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24394

Benzenamine, N,N-diethyl-3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (33.1%)

안전 데이터

wgk: WGK 2
tsca: TSCA listed
rtecs: CX9869375
ridadr: UN 1708 6.1/PG 2
HS 번호: 29214300
risk_code: 36/37/38-20/21/22-51/53-26-24/25-20
hazard_code: Xn,N,T
safety_code: 24/25-61-45-36/37-28
기존화학 물질: KE-10529
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: N-알킬 톨루이딘과 그 염류 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 97-1-451