1H-인덴,2,3-디하이드로-5-이소티오시아나토-(9CI)

5-isothiocyanato-2,3-dihydro-1H-indene

HCID 2759357

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 149865-84-9
표준 SMILES: S=C=Nc1ccc2c(c1)CCC2
InChIKey: DRZNKOAIZHUADV-UHFFFAOYSA-N
분자식: C10H9NS
평균 분자량: 175.25 g/mol
단동위원소 질량: 175.04557046

이름 및 식별자

우선 이름: 5-isothiocyanato-2,3-dihydro-1H-indene
IUPAC: 5-isothiocyanato-2,3-dihydro-1H-indene
현지명: 1H-인덴,2,3-디하이드로-5-이소티오시아나토-(9CI)
영어명: 1H-Indene,2,3-dihydro-5-isothiocyanato-(9CI)
분자식: C10H9NS
분자량: 175.25

이름 및 동의어

5-isothiocyanato-2,3-dihydro-1H-indeneRefChem:536487671-085-55-Indanyl Isothiocyanate149865-84-91H-Indene,2,3-dihydro-5-isothiocyanato-(9CI)MFCD000603385-isothiocyanatoindane5-indanyl-isothiocyanateindan-5-yl-isothiocyanateSCHEMBL2265788DTXSID80374756

이름 더 보기

1H-인덴,2,3-디하이드로-5-이소티오시아나토-(9CI)5-Indanyl isothiocyate1H-Indene, 2,3-dihydro-5-isothiocyanato-

DRZNKOAIZHUADV-UHFFFAOYSA-N5-indanyl isothiocyanate, AldrichCPRAKOS000211945EN300-53651

데이터베이스 식별자

CAS: 149865-84-9
PubChem CID: 2759357
DTXSID: DTXSID80374756
EC Number: 671-085-5
Nikkaji: J1.470.336E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 208

물리화학적 성질

끓는 점: 99 °C/1mm · 99°C/1mm
밀도: 1.15 · 1.15
Specific Gravity: 1.15 · 1.15

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)