Benzenamine, 2-nitro-4-(trifluoromethyl)- (HCID 67865)

이름 및 식별자

우선 이름: Benzenamine, 2-nitro-4-(trifluoromethyl)-
IUPAC: 2-nitro-4-(trifluoromethyl)aniline
영어명: 4-Amino-3-nitrobenzotrifluoride
분자식: C7H5F3N2O2
분자량: 206.12

이름 및 동의어

2-Nitro-4-(trifluoromethyl)anilineBenzenamine, 2-nitro-4-(trifluoromethyl)-EINECS 206-926-3AI3-26186DTXSID6074912ATXBGHLILIABGX-UHFFFAOYSA-NSC 9429NSC 13396RefChem:561698DTXCID7039703InChI=1/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2400-98-6

이름 더 보기

BUTTPARK 75\04-39TIMTEC-BB SBB0034882-NITRO-ALPHA,ALPHA,A3-NITRO-4-AMINOBENZOTRIFLUORIDE3-nitro-4-aminotrifluorotoluene4-TRIFLUOROMETHYL 2-NITROANILINE4-Amino-3-nitrobenzotrifluoride98%

4-Amino-3-nitrobenzotrifluorideMFCD000071552-Nitro-4-trifluoromethylanilineAniline, 2-nitro-4-trifluoromethyl-2-Nitro-4-trifluoromethyl-phenylamineJCH7KWT394NSC-9429NSC-13396

데이터베이스 식별자

CAS: 400-98-6
PubChem CID: 67865
DTXSID: DTXSID6074912
UNII: JCH7KWT394
EC Number: 206-926-3
Nikkaji: J207.908I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 71.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 226

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 105 · 105-106 °C(lit.)
끓는 점: 265.6 · 265.6±40.0 °C(Predicted)
밀도: 1.4711 · 1.4711 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: soluble in Methanol,Toluene
산도 계수 (pKa): -2.54 · -2.54±0.10(Predicted)
물리적 상태: 결정 또는 결정성 분말
색상: 노란색에서 황금색으로
BRN: 650808 · 650808
InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChIKey: ATXBGHLILIABGX-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
NIST: 2 · Aniline, 2-nitro-4-trifluoromethyl-(400-98-6)
EPA: 2 · Benzenamine, 2-nitro-4-(trifluoromethyl)- (400-98-6)

화학적 성질

White to yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN2811
HS 번호: 29214300
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 13 - Non Combustible Solids