2-Amino-6-(trifluoromethyl)pyridine

HCID 821024CAS 34486-24-3

기본 정보

표준 SMILES: Nc1cccc(C(F)(F)F)n1
InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N
분자식: C6H5F3N2
평균 분자량: 162.11 g/mol
단동위원소 질량: 162.04048282

이름 및 식별자

우선 이름: 2-Amino-6-(trifluoromethyl)pyridine
IUPAC: 6-(trifluoromethyl)pyridin-2-amine
영어명: 2-Amino-6-(trifluoromethyl)pyridine
분자식: C6H5F3N2
분자량: 162.11

이름 및 동의어

2-Amino-6-(trifluoromethyl)pyridine34486-24-3DTXSID00356271RefChem:464703DTXCID10307330636-458-96-(trifluoromethyl)pyridin-2-amineMFCD030938686-(trifluoromethyl)-2-pyridinylamineEN300-614962-Pyridinamine, 6-(trifluoromethyl)-6-(trifluoromethyl)-2-pyridylamine

이름 더 보기

4-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE2-Amino-6-(trifL6-trifluromethylpyridin-2-amine6-trifluoromethyl-2-pyridinamine2-Amino-6-(trifloromethyl)pyridine6-TrifluoroMethyl-pyridin-2-ylaMine

2-amino-6-trifluoromethylpyridine6-(trifluoromethyl)-2-pyridinamineAQ-776/42801241SCHEMBL181081SCHEMBL21855912SCHEMBL305316876-trifluoromethylpyridin-2-aminePBPDHPGJRZUHJW-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 34486-24-3
PubChem CID: 821024
DTXSID: DTXSID00356271
EC Number: 636-458-9
Nikkaji: J2.152.094B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 85 · 85-89 °C
끓는 점: 192.1 · 192.1±40.0 °C(Predicted)
밀도: 1.368 · 1.368±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.13 · 3.13±0.24(Predicted)
색상: Light yellow to Brown to Dark green
BRN: 473259 · 473259
InChI: InChI=1S/C6H5F3N2/c7-6(8,9)4-2-1-3-5(10)11-4/h1-3H,(H2,10,11)
InChIKey: NFYYDQMFURPHCC-UHFFFAOYSA-N
SMILES: C1(N)=NC(C(F)(F)F)=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (83.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (83.7%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 1
HS 번호: 29333990
risk_code: 25-36/37/38-43-20/21/22
hazard_code: T,Xi,Xn
safety_code: 26-36/37-45-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant/Toxic
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials