1,2-DIAMINO-4-(트리플루오로메톡시)벤젠

4-(Trifluoromethoxy)benzene-1,2-diamine

HCID 2773959

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 658-89-9
표준 SMILES: Nc1ccc(OC(F)(F)F)cc1N
InChIKey: PIOKGAUSPFWRMD-UHFFFAOYSA-N
분자식: C7H7F3N2O
평균 분자량: 192.14 g/mol
단동위원소 질량: 192.05104734

이름 및 식별자

우선 이름: 4-(Trifluoromethoxy)benzene-1,2-diamine
IUPAC: 4-(trifluoromethoxy)benzene-1,2-diamine
현지명: 1,2-DIAMINO-4-(트리플루오로메톡시)벤젠
영어명: 1,2-Diamino-4-(trifluoromethoxy)benzene
분자식: C7H7F3N2O
분자량: 192.14

이름 및 동의어

4-(trifluoromethoxy)benzene-1,2-diamine658-89-9DTXSID20378798RefChem:289507DTXCID60329825640-142-61,2-DIAMINO-4-(TRIFLUOROMETHOXY)BENZENEMFCD030942781,2-Benzenediamine, 4-(trifluoromethoxy)-4-trifluoromethoxy-benzene-1,2-diamine4-(Trifluoromethoxy)-1,2-benzenediamineSCHEMBL442684

이름 더 보기

1,2-DIAMINO-4-(트리플루오로메톡시)벤젠4-Trifluoromethoxy-1,2-diaminobenzene4-(TRIFLUOROMETHOXY)-1,2-PHENYLENEDIAMINE4-(Trifluoromethoxy)benzene-1,2-diamine 97%1,2-Diamino-4-(trifluoromethoxy)benzene, 4-(Trifluoromethoxy)phenylene-1,2-diamine

1,?2-?Diamino-?4-?(trifluoromethoxy)?benzeneSCHEMBL29546263CK1174SBB0913821,2-Diamino-4-trifluoromethoxybenzene4-trifluoromethoxy-1,2-benzenediamineAKOS006228206CS-W006388

데이터베이스 식별자

CAS: 658-89-9
PubChem CID: 2773959
DTXSID: DTXSID20378798
EC Number: 640-142-6

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 61.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 106 · 106-108 °C(Press: 5 Torr)
밀도: 1.429 · 1.429±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.3 · 3.30±0.10(Predicted)
물리적 상태: 고체
색상: 짙은 갈색에서 검정색까지
안정성: 공기에 민감한

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): 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, P305+P354+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 3 reports by companies from 3 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 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (66.7%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)