벤질시아노포메이트

Benzyl cyanoformate

HCID 79660CAS 5532-86-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#CC(=O)OCc1ccccc1
InChIKey: GDZIODIYBLTRRJ-UHFFFAOYSA-N
분자식: C9H7NO2
평균 분자량: 161.16 g/mol
단동위원소 질량: 161.04767847

이름 및 식별자

우선 이름: Benzyl cyanoformate
IUPAC: benzyl cyanoformate
현지명: 벤질시아노포메이트
영어명: BENZYL CYANOFORMATE
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

Benzyl cyanoformateCarbonocyanidic acid, phenylmethyl esterBJ8E5TW8ASEINECS 226-880-8DTXSID10203883PHENYLMETHYL CARBONOCYANIDATERefChem:118864DTXCID40126374226-880-8GDZIODIYBLTRRJ-UHFFFAOYSA-N5532-86-5benzyl carbonocyanidate

이름 더 보기

벤질시아노포메이트LABOTEST-BB LT00159972Benzyl cyanoforMate 97%phenylmethyl cyanomethanoateCYANOFORMIC ACID BENZYL ESTERCyanidocarbonic acid benzyl esterCarbonocyanidic acid benzyl esterCarbonocyanidic acid phenylmethyl ester

MFCD00001835phenylmethyl cyanoformatebenzylcyanoformatbenzylcarbonocyanidateUNII-BJ8E5TW8ASBenzyl cyanoformate, 97%SCHEMBL1400119FAA53286

데이터베이스 식별자

CAS: 5532-86-5
PubChem CID: 79660
DTXSID: DTXSID10203883
UNII: BJ8E5TW8AS
EC Number: 226-880-8
Nikkaji: J210.575F

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 50.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 198

물리화학적 성질

끓는 점: 66 · 66-67 °C/0.6 mmHg (lit.)
밀도: 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.505(lit.)
인화점: 220 °F · 220 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
BRN: 1947475 · 1947475
InChI: 1S/C9H7NO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey: GDZIODIYBLTRRJ-UHFFFAOYSA-N
SMILES: O=C(OCc1ccccc1)C#N

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2927 6.1/PG 2
risk_code: 23/24/25-34
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 8-10-19-21
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials