DL-2-플루오로-3-알라닌

alpha-Fluoro-beta-alanine

HCID 13351CAS 3821-81-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC(F)C(=O)O
InChIKey: OJQNRNQELNLWHH-UHFFFAOYSA-N
분자식: C3H6FNO2
평균 분자량: 107.08 g/mol
단동위원소 질량: 107.0382566

이름 및 식별자

우선 이름: alpha-Fluoro-beta-alanine
IUPAC: 3-amino-2-fluoropropanoic acid
현지명: DL-2-플루오로-3-알라닌
영어명: DL-2-Fluoro-3-alanine
분자식: C3H6FNO2
분자량: 107.08

이름 및 동의어

3-amino-2-fluoropropanoic acid3821-81-6alpha-Fluoro-beta-alanine2-Fluoro-beta-alanine1461S5575QDTXSID00959160FBALRefChem:555714DTXCID10835284223-318-3dl-2-Fluoro-3-alanine3-Amino-2-fluoropropionic acid

이름 더 보기

DL-2-플루오로-3-알라닌α-Fluoro-β-alaninea-Fluoro-β-alanineDL-2-Fluoro-β-alaninealfa-Fluoro-beta-Alanine2-Fluoro-3-aminopropanoic acid

a-fluoro-b-alanineMFCD00041324Propanoic acid, 3-amino-2-fluoro-2-Fluoro-.beta.-alanineDL-2-Fluoro-beta-alanineUNII-1461S5575QPropanoic acid, 3-amino-2-fluoro-; ss-Alanine, 2-fluoro- (6CI,7CI,8CI); 3-Amino-2-fluoropropanoic acid; 2-Fluoro-ss-alanine; Fluoro-ss-alanine; a-Fluoro-ss-alanineEINECS 223-318-3

데이터베이스 식별자

CAS: 3821-81-6
PubChem CID: 13351
DTXSID: DTXSID00959160
ChEMBL: CHEMBL3544571
ChEBI: CHEBI:80626
UNII: 1461S5575Q
EC Number: 223-318-3
Nikkaji: J79.862B

물성

구조 계산 물성

XLogP: -3
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 75

물리화학적 성질

녹는점: 222 °C · 222 °C
끓는 점: 264.5 · 264.5±25.0 °C(Predicted)
밀도: 1.302 · 1.302±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under Inert Atmosphere
용해도: 물(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1.54 · 1.54±0.16(Predicted)
색상: 흰색에서 옅은 베이지까지
InChI: 1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKey: OJQNRNQELNLWHH-UHFFFAOYSA-N
SMILES: NCC(F)C(O)=O

화학적 성질

White to Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2922498590
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도α-Fluoro-β-alanine (cas# 3821-81-6) is a compound useful in organic synthesis.

공급사43 곳

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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