3-(HEPTADECAFLUOROOCTYL)아닐린

3-(Heptadecafluorooctyl)aniline

HCID 4245356CAS 119489-67-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIKey: FQQMUCAKAYUZFS-UHFFFAOYSA-N
분자식: C14H6F17N
평균 분자량: 511.18 g/mol
단동위원소 질량: 511.02287893

이름 및 식별자

우선 이름: 3-(Heptadecafluorooctyl)aniline
IUPAC: 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)aniline
현지명: 3-(HEPTADECAFLUOROOCTYL)아닐린
영어명: 3-(Heptadecafluorooctyl)aniline
분자식: C14H6F17N
분자량: 511.18

이름 및 동의어

3-(Heptadecafluorooctyl)aniline119489-67-7DTXSID30401167RefChem:275543DTXCID103520223-(Perfluorooctyl)aniline3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)anilineSCHEMBL22632543-(perfluoro-n-octyl)benzenamine3-(Heptadecafluorooctyl)aniline, >=95.0%NS001098673-(HEPTADECAFLUOROOCTYL)아닐린

이름 더 보기

Benzenamine, 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-

데이터베이스 식별자

CAS: 119489-67-7
PubChem CID: 4245356
DTXSID: DTXSID30401167
EC Number: 999-197-2
Nikkaji: J3.690.595F

물성

구조 계산 물성

XLogP: 6.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 18
회전 가능 결합 수: 7
무거운 원자 수: 32
형식 전하: 0
복잡도: 679

실험 및 물리화학적 성질

PFAS · 2건

PFAS -> OECD Category

PFAS -> Other/unspecified

물리화학적 성질

녹는점: 33 · 33-38 °C
물리적 상태: flakes
BRN: 6023253 · 6023253
InChI: 1S/C14H6F17N/c15-7(16,5-2-1-3-6(32)4-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2
InChIKey: FQQMUCAKAYUZFS-UHFFFAOYSA-N
SMILES: Nc1cccc(c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
EPA: 3 · 3-(Heptadecafluorooctyl)aniline (119489-67-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects