2-Amino-4,4,4-trifluorobutanoic acid

HCID 353083

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 15959-93-0
표준 SMILES: NC(CC(F)(F)F)C(=O)O
InChIKey: AQPCXCOPDSEKQT-UHFFFAOYSA-N
분자식: C4H6F3NO2
평균 분자량: 157.09 g/mol
단동위원소 질량: 157.03506292

이름 및 식별자

우선 이름: 2-Amino-4,4,4-trifluorobutanoic acid
IUPAC: 2-amino-4,4,4-trifluorobutanoic acid
영어명: 2-Amino-4,4,4-trifluoro-n-butyric acid hydrochloride
분자식: C4H6F3NO2
분자량: 157.09

이름 및 동의어

2-amino-4,4,4-trifluorobutanoic acidDTXSID20936130RefChem:4639752-A-TFBADTXCID10136474315959-93-02-Amino-4,4,4-trifluorobutyric acidButanoic acid, 2-amino-4,4,4-trifluoro-MFCD000414172-AMINO-4,4,4-TRIFLUORO-N-BUTYRIC ACID HYDROCHLORIDE2-Amino-4,4,4-trifluoro-butanoic acidNSC600193

이름 더 보기

2-Amino-4,4,4-trifluorobutanoic acid hydrochloride2-Amino-4,4,4-trifluorobutyricacid97%2-Amino-4,4,4-trifluorobutyric acid 97%2-Amino-4,4,4-trifluoro-n-butyric acid HCl4,4,4-TRIFLUORO-ALPHA-HOMOALANINE HYDROCHLORIDE2-AMINO-4,4,4-TRIFLUOROBUTYRIC ACID HYDROCHLORIDE2-Amino-4,4,4-trifluorobutyric Acid Hydrochloride >

3-TrifluoromethylalanineSCHEMBL76553SBB0170522-amino-4,4,4-trifluorobutanoicacidAKOS000175581AKOS017344483AB68601AB71803

데이터베이스 식별자

CAS: 15959-93-0
PubChem CID: 353083
DTXSID: DTXSID20936130
EC Number: 672-765-4
Nikkaji: J2.544.160E

물성

구조 계산 물성

XLogP: -1.9
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 250 °C · 250°C (dec.)
끓는 점: 185.2 · 185.2±40.0 °C(Predicted)
밀도: 1.432 · 1.432±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystaline
산도 계수 (pKa): 1.92 · 1.92±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 1769355 · 1769355
InChI: InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)
InChIKey: AQPCXCOPDSEKQT-UHFFFAOYSA-N
SMILES: C(O)(=O)C(N)CC(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 8 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.