1-Isocyanato-2-phenoxybenzene

HCID 2733389

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59377-20-7
표준 SMILES: O=C=Nc1ccccc1Oc1ccccc1
InChIKey: KCHQIPPONLLUGU-UHFFFAOYSA-N
분자식: C13H9NO2
평균 분자량: 211.22 g/mol
단동위원소 질량: 211.06332853

이름 및 식별자

우선 이름: 1-Isocyanato-2-phenoxybenzene
IUPAC: 1-isocyanato-2-phenoxybenzene
영어명: 2-Phenoxyphenyl isocyanate
분자식: C13H9NO2
분자량: 211.22

이름 및 동의어

59377-20-71-isocyanato-2-phenoxybenzene2-PhenoxyphenylisocyanateDTXSID10974788RefChem:433314DTXCID001402209624-955-32-Phenoxyphenyl isocyanateMFCD006730472-phenoxybenzenisocyanatephenoxyphenyl isocyanate2-phenoxy phenyl isocyanate

이름 더 보기

2-Phenoxyphenyl2-Phenoxyphenyl isocyanate,97%Benzene, 1-isocyanato-2-phenoxy-Benzene, 1-isocyanato-2-phenoxy- (9CI)

SCHEMBL6730411-isocyanato-2-phenoxy-benzene2-Phenoxyphenyl isocyanate, 98%KCHQIPPONLLUGU-UHFFFAOYSA-NGEO-02102SBB079389AKOS005169890DB-021481

데이터베이스 식별자

CAS: 59377-20-7
PubChem CID: 2733389
DTXSID: DTXSID10974788
EC Number: 624-955-3

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

끓는 점: 101 °C0.1 · 101 °C0.1 mm Hg(lit.)
밀도: 1.168 g/mL · 1.168 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.588(lit.)
인화점: 230 °F · >230 °F

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): 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, 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 41 reports by companies from 3 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.