Cyclopropyl isothiocyanate (HCID 92463)

이름 및 식별자

우선 이름: Cyclopropyl isothiocyanate
IUPAC: isothiocyanatocyclopropane
영어명: Cyclopropyl isothiocyanate
분자식: C4H5NS
분자량: 99.15

이름 및 동의어

Cyclopropyl isothiocyanate56601-42-4EINECS 260-278-6DTXSID90205168RefChem:581200DTXCID90127659260-278-6IsothiocyanatocyclopropaneCyclopropane, isothiocyanato-MFCD00040874isothiocyanato-cyclopropaneCyclopropylisothiocyanate

이름 더 보기

AKOS B022766ART-CHEM-BB B022766Cyclopropyl isothiocyateCyclopropyl isothiocyanate 97%Cyclopropyl isothiocyanate,97%

cyclopropyl iso-thiocyanateRCK2DWK2N7Isothiocyanatocyclopropane #SCHEMBL289935CHEMBL5988401CHEBI:88382Cyclopropyl isothiocyanate, 97%BDBM447822

데이터베이스 식별자

CAS: 56601-42-4
PubChem CID: 92463
DTXSID: DTXSID90205168
ChEMBL: CHEMBL5988401
ChEBI: CHEBI:88382
UNII: RCK2DWK2N7
EC Number: 260-278-6
Nikkaji: J267.058E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 89

물리화학적 성질

끓는 점: 57 · 57-59 °C (15 mmHg)
밀도: 1.053 g/mL · 1.053 g/mL at 25 °C
굴절률: 1.544 · 1.544-1.546
인화점: 57 °C · 57°C
저장 조건: 2 · 2-8°C
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.07 · 1.07
색상: 무색투명~미황색
BRN: 3600974 · 3600974
안정성: 수분에 민감한
InChI: InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2
InChIKey: JGFBQFKZKSSODQ-UHFFFAOYSA-N
SMILES: C1(N=C=S)CC1
NIST: Cyclopropane, isothiocyanato-(56601-42-4)

화학적 성질

Clear colorless to slightly yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H330 (13%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H331 (87%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 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 CategoriesFlam. Liq. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Acute Tox. 2 (13%)；Acute Tox. 3 (87%)

안전 데이터

wgk: 3
ridadr: 3286
HS 번호: 29309090
risk_code: 34-23/25-10
hazard_code: T,C
safety_code: 45-38-36/37/39-28A-26-16
포장분류: II
위험 등급: 3
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도Cyclopropyl isothiocyanate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.