2-Methoxyethyl isothiocyanate

HCID 123475CAS 38663-85-3

기본 정보

표준 SMILES: COCCN=C=S
InChIKey: HTSAVXAFEVUJQE-UHFFFAOYSA-N
분자식: C4H7NOS
평균 분자량: 117.17 g/mol
단동위원소 질량: 117.02483484

이름 및 식별자

우선 이름: 2-Methoxyethyl isothiocyanate
IUPAC: 1-isothiocyanato-2-methoxyethane
영어명: 2-Methoxyethyl isothiocyanate
분자식: C4H7NOS
분자량: 117.17

이름 및 동의어

2-Methoxyethyl isothiocyanate38663-85-31-Isothiocyanato-2-methoxyethaneEINECS 254-070-4DTXSID80191965RefChem:474650DTXCID20114456254-070-42-methoxyethylisothiocyanateEthane, 1-isothiocyanato-2-methoxy-1-isothiocyanato-2-methoxy-ethaneMFCD00041126

이름 더 보기

2-METHOXYETHYL ISOTHIOCYANATE 99%2-Methoxyethyl isothiocyanate, 98+%

2-methoxyethanisothiocyanate1-(Isothiocyanato)-2-methoxyethaneSCHEMBL6781932-methoxy ethyl isothiocyanate2-Methoxyl ethyl isothiocyanate2-Methoxyethyl isothiocyate, 99%1-Isothiocyanato-2-methoxyethane #ALBB-016794

데이터베이스 식별자

CAS: 38663-85-3
PubChem CID: 123475
DTXSID: DTXSID80191965
EC Number: 254-070-4
Nikkaji: J319.823E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 53.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 77.8

물리화학적 성질

녹는점: 1.08 · 1.080
끓는 점: 88 · 88-92 °C (24 mmHg)
밀도: 1.08 · 1.08
굴절률: 1.511 · 1.511-1.513
인화점: 66 °C · 66 °C
저장 조건: Keep Cold
물리적 상태: liquid
Specific Gravity: 1.08 · 1.08
BRN: 773990 · 773990
InChI: 1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3
InChIKey: HTSAVXAFEVUJQE-UHFFFAOYSA-N
SMILES: COCCN=C=S

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (88.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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

Hazard Classes and CategoriesFlam. Liq. 2 (88.9%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29309090
risk_code: 36/37-36/37/38-20/21/22
hazard_code: Xi,T,Xn
safety_code: 39-26-36/37
포장분류: II
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids