부탄산,3-HYDROXY-4-IODO-,에틸에스테르,(S)

ethyl (3S)-3-hydroxy-4-iodobutanoate

HCID 13778740

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 112100-39-7
표준 SMILES: CCOC(=O)C[C@H](O)CI
InChIKey: SMWBHOKQXGBYJN-YFKPBYRVSA-N
분자식: C6H11IO3
평균 분자량: 258.05 g/mol
단동위원소 질량: 257.97529

이름 및 식별자

우선 이름: ethyl (3S)-3-hydroxy-4-iodobutanoate
IUPAC: ethyl (3S)-3-hydroxy-4-iodobutanoate
현지명: 부탄산,3-HYDROXY-4-IODO-,에틸에스테르,(S)
영어명: BUTANOIC ACID, 3-HYDROXY-4-IODO-, ETHYL ESTER, (S)
분자식: C6H11IO3
분자량: 258.05

이름 및 동의어

112100-39-7ethyl (3S)-3-hydroxy-4-iodobutanoateRefChem:593107101-132-2(S)-Ethyl 3-hydroxy-4-iodobutanoateBUTANOIC ACID, 3-HYDROXY-4-IODO-, ETHYL ESTER, (S)MFCD00672874Ethyl (S)-3-hydroxy-4-iodobutanoate(S)-3-hydroxy-4-iodobutanoic acid ethyl esterSCHEMBL2168521SMWBHOKQXGBYJN-YFKPBYRVSA-NEthyl 3(S)-hydroxy-4-iodobutyrate

이름 더 보기

부탄산,3-HYDROXY-4-IODO-,에틸에스테르,(S)ETHYL S(-)-4-IODO-3-HYDROXYBUTYRATEETHYL (S)-4-IODO-3-HYDROXYBUTANOATEButanoic acid,3-hydroxy-4-iodo-, ethyl ester, (3S)-

ethyl (S)-4-iodo-3-hydroxybutyrateAKOS024463439ethyl (S) -4-iodo-3-hydroxybutyrateSY466261EN300-7409753

데이터베이스 식별자

CAS: 112100-39-7
PubChem CID: 13778740
EC Number: 101-132-2
Nikkaji: J1.624.492I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

끓는 점: 294.7 · 294.7±25.0 °C(Predicted)
밀도: 1.746 · 1.746±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.23 · 13.23±0.20(Predicted)

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)

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